v>EPA
          United States
          Environmental Protection
          Agency
            Environmental Research
            Laboratory
            Athens GA 30613
EPA/600/3-86/034
September 1 986
          Research and Development
WASPS, A
Hydrodynamic and
Water Quality Model-
Model Theory, User's
Manual, and
Programmer's Guide

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                                                EPA/600/3-86/034
                                                September 1986
  WASP3, A HYDRODYNAMZC  AND WATER QUALITY MODEL—
MODEL THEORY, USER'S MANUAL,  AND  PROGRAMMER'S GUIDE
                            by

            RobertB. Ambrose,  Jr.,  P.E.
              Scarlett B. Vandergrift
                    Tim A.  Wool*
           Environmental Research Laboratory
                 Athens, Georgia  30613

           *Computer Sciences Corporation
              Athens, Georgia   30613
         ENVIRONMENTAL RESEARCH LABORATORY
         OFFICE OF RESEARCH AND DEVELOPMENT
        U.S. ENVIRONMENTAL PROTECTION  AGENCY
               ATHENS, GEORGIA  30613
                                    U.S. Environmental Protection Agency
                                    Region 5, Library (PL-12J)
                                    7? West Jackson Boulevard, 12th Floor
                                    Chicago, II  60604-3590

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                                  DISCLAIMER

     The information in this document has been  funded wholly or  in part by
the United States Environmental Protection Agency.   It has been  subject to
the Agency's peer and administrative  review, and  it  has been approved for
publication as an EPA document.  Mention of  trade names or commercial
products does not constitute endorsement or  recommendation for use by the
U.S. Environmental Protection Agency.
                                      ii

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                                   FOREWORD

     As environmental controls become more costly to implement and the  penal-
ties of judgment errors become more severe, environmental quality management
requires more efficient management tools based on greater knowledge of  the
environmental phenomena to be managed.  As part of this Laboratory's research
on the occurrence, movement, transformation, impact, and control of environ-
mental contaminants, the Assessment Branch develops state-of-the-art mathema-
tical models for use in water quality evaluation and management.

     The Water Quality Analysis Program (WASP) was developed in 1981 by
Dominic Di Toro, James Fitzpatrick, and Robert Thomann of Hydroscience, Inc.
(presently Hydroqual, Inc.).  Because of its unique flexibility, the model
has been widely used throughout the United States to predict water quality
responses to natural and man-made pollution,  in the work reported here,  WASP
was updated and combined with a set of eutrophication and toxic chemical
subroutines and a hydrodynamics program called DYNHYD3, which is an enhance-
ment of the Potomac Estuary Model developed by Steve Roesch and Leo Clark of
EPA Region Ill's Central Regional Laboratory.  The resulting WASPS modeling
system is a powerful tool for simulating the movement of water and the  move-
ment and interaction of both conventional and toxic pollutants within the
water.  Appropriate application of the model will provide valuable informa-
tion on which to base various pollution management decisions.
                                   Rosemarie C.  Russo,  Ph.D.
                                   Director
                                   Environmental Research Laboratory
                                   Athens, Georgia
                                     iii

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                                   PREFACE

     The application of mathematical modeling techniques to water quality
problems has proved to be a powerful tool in water resource management.  As
a diagnostic tool, it permits the abstraction of a highly complex real world.
Realizing that no one can ever detail all the physical phenomena that com-
prise our natural world, the modeler attempts to identify and include only
the phenomena, be they natural or man-made,  that are relevant to the water
quality problem under consideration.  As a predictive tool, mathematical
modeling permits the forecasting and evaluation of the effects of changes in
the surrounding environment on water quality.  Although engineering insight
and political and socioeconomic concerns play important roles in water re-
source management, some water quality problems are of such a complex nature
that the predictive capability of mathematical models provides the only real
means for screening the myriad number of management alternatives.

     It is important for a computer program  to be very general in nature if
it is to serve as the basis for the mathematical modeler.  The program should
be flexible enough to provide the modeler with the mechanisms to describe and
provide input data for the geophysical morphology, the transport processes,
and the transformation processes that go into the framework of the model.
Transport processes, basically hydrodynamic  in nature, include advection,
turbulent diffusion, and, when spatial averaging is included, dispersion.
Transformation (or reactive) processes, which are the sources and sinks that
act upon a particular water quality parameter, may be physical, chemical or
biological.  Examples of these processes are the sedimentation and floccula-
tion of organics, the assimilative capacity  of a water body to receive an
acid waste discharge, and the predator-prey  relationship of zooplankton-
phytopiank ton.

     The WASPS modeling system was designed  to provide the generality and
flexibility necessary for analyzing a variety of water quality problems
in a diverse set of water bodies.  The particular components described in
this manual can be used for the hydrodynamics of large branching rivers,
reservoirs, and estuaries; the mass transport in ponds, streams, lakes,
reservoirs, rivers, estuaries, and coastal waters; and the kinetic inter-
actions of eutrophication-dissolved oxygen and sediment-toxic chemicals.

     This manual contains three main sections that can be used independent-
ly by various members of a modeling team. The first section, WASP3 Model
Theory, documents the equations and assumptions underlying the WASPS model
components.  Some guidance on the use of these models is offered, along
with sample input data values, when appropriate.  More general summaries of
equations and data are provided in the "Rates Manual" (Bowie et al., 1985)
and the "Screening Manual" (Mills et al., 1985).  A rates manual for toxic
organics and metals is in preparation as of  this writing.

                                     iv

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     The second section, WASP3 User's Manual,  documents the input data speci-
fications necessary to run the WASPS models.  Each data group is described,
with input variable names, formats, and definitions.   Convenient tabular
summaries of each data group are provided, followed by an alphabetical listing
of variables with short definitions for quick  reference.

     The third section, WASPS Programmer's Manual, documents the computer
requirements necessary to support the WASPS models.  Hardware and software
specifications are given, followed by installation and implementation instruc-
tions and a description of command files.  A description of the computer
programs themselves includes an overview of the system, the computer files,
COMMON blocks, subroutines, and overlay structures.

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                                   ABSTRACT

     The Water Quality Analysis Simulation Program—3  (WASP3)  is a  dynamic
compartment modeling system that can be used to analyze  a variety of
water quality problems in a diverse set of water bodies.   WASPS simulates
the transport and transformation of conventional and toxic pollutants  in
the water column and benthos of ponds,  streams,  lakes, reservoirs,  rivers,
estuaries, and coastal waters.   The WASP3 modeling  system covers four  major
subjects:  hydrodynamics, conservative  mass transport, eutrophication-
dissolved oxygen kinetics, and  toxic chemical-sediment dynamics.  This
manual contains three main parts:   Model Theory, User's  Manual, and Pro-
grammer's Guide.

     The WASP3 modeling system  consists of two  stand-alone computer
programs, DYNHYD3 and WASP3, that can be run in  conjunction or separatelyl
The hydrodynamic program, DYNHYD3, simulates the movement of  water  and
the water quality program simulates the movement and interaction of
pollutants within the water. The latter program is supplied  with two
kinetic sub-models to simulate  two of the major  classes  of water quality
problems:  conventional pollution (dissolved oxygen, biochemical oxygen
demand, nutrients and eutrophication) and toxic  pollution (organic
chemicals, heavy metals, and sediment).  The substitution of  either sub-
model constitutes the models EUTRWASP and TOXIWASP, respectively.

     This report covers the period October 1, 1984  to  June 30, 1986, and
work was completed as of June 30,  1986.
                                     vi

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                                  CONTENTS

Foreword 	  ill

Preface 	   iv

Abstract 	   vi

Figures 	    x

Tables 	xiii

Acknowledgments 	   xv



1.   WASP3 Model Theory	     1

     1.1  Overview of the WASP3 Modeling System	     6

     1.2  The Hydrodynamics Model	     6
          1.2.1  Overview of DYNHYD3	     6
          1.2.2  The Hydrodynamic Equations	     6
          1.2.3  The Model Network	    17
          1.2.4  Implementation of the Equations	    19
          1.2.5  The Model Parameters	    21
          1.2.6  Application of the Model	    28

     1.3  The Basic Water Quality Model	    29
          1.3.1  Overview of WASP3	    29
          1.3.2  The General Mass Balance Equation	    30
          1.3.3  The Model Network	    32
          1.3.4  Implementation of the Mass Balance Equation...	    35
          1.3.5  The Model Parameters	    40
          1.3.6  Application of the Model	    44

     1 .4  The Eutrophiction Model	    47
          1.4.1  Overview of EUTRWASP	    47
          1.4.2  Phytoplankton Kinetics	    50
          1.4.3  Stoichiometry and Uptake Kinetics	    60
          1.4.4  The Phosphorus Cycle	    63
          1.4.5  The Nitrogen Cycle	    68
          1 .4.6  The Dissolved Oyxgen Balance	    73
          1.4.7  Sediment-Water Interactions	    76
                                    vii

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                             CONTENTS  (Continued)

     1.5  The Toxic Chemical  Model	   85
          1.5.1   Overview of  TOXIWASP	   85
          1.5.2   The Sediment System	   92
          1.5.3   The Chemical System	  103
          1.5.4   Heavy Metals	  129
          1.5.5   Summary of Data Requirements	  131

2.   WASP3 User's Manual	  137

     2.1  Overview	  137

     2.2  The Hydrodynamics Model	  137
          2.2.1   Introduction	  137
          2.2.2   DYNHYD3 Data Group Descriptions	  139
          2.2.3   DYNHYD3 Da ta Group Tables	  1 48
          2.2.4   DYNHYD3 Variable Definitions	  154

     2.3  The Basic Water Quality Model	  164
          2.3.1   Introduction	  164
          2.3.2   WASPS Data Group Descriptions	  166
          2.3.3   WASP3 Data Group Tables	  201
          2.3.4   WASP3 Variable Definitions	  230

     2.4  The Eutrophication  Model	  239
          2.4.1   Introduction	  239
          2.4.2   EUTRWASP Data Group Descriptions	  239
          2.4.3   EUTRWASP Data Group Tables	  249
          2.4.4   EUTRWASP Variable  Definitions	  247

     2.5  The Toxic Chemical  Model	  269
          2.5.1   Introduction	  269
          2.5.2   TOXIWASP Data Group Descriptions	  269
          2.5.3   TOXIWASP Data Group Tables	  278
          2.5.4   TOXIWASP Variable  Definitions	  286

3.   WASPS Programmer's Guide	  310

     3.1  Overview	  310

     3.2  The Hydrodynamic Model...	  310
          3.2.1   Hardware and Software Requirements	  310
          3.2.2   Installation and  Implementation	  311
          3.2.3   Description  of VAX Command  Files	  313
          3.2.4   Description  of Computer  Program	  315

                                    viii

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                             CONTENTS (Continued)

     3.3  The Basic Water Quality Model	   319
          3.3.1  Hardware and Software Requirements	   319
          3.3.2  Installation and Implementation	   321
          3.3.3  Description of VAX Command Files	   324
          3.3.4  Description of Computer Program..	   328

References	   374

Appendices
                                     ix

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                                   FIGURES


Number                                                               Page

 1    The Basic WASP3 System	      7

 2    Acceleration of Gravity	      9

 3    Frictional Acceleration	     10

 4    Wind Acceleration (Magnitude)	     11

 5    Wind Stress (Direction)	     13

 6    Wind Stress	     14

 7    Wind Stress Vector Analysis	     15

 8    Wind Stress Effects	     15

 9    Equation of Continuity	     16

 10   Model Network	     17

 1 1   Representation of the Model Network	     18

 12   Definition Sketch of Junctions	     22

 1 3   Definition Sketch for Channels	     24

 14   Inflow Time Function	     26

 15   Definition Sketch of Downstream Boundary	     27

 16   Coordinate System for Mass Balance  Equation	     31

 1 7   Model Segmentation	     33

 18   Spatial Scales Used in Lake Ontario Analysis....	     33

 19   Frequency Distribution of Observed  and Calculated Values
        of a Quality Variable	     34

 20   Definition Sketch for Finite Difference Equation	     47

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                             FIGURES (Continued)


Number                                                               Page

 21   EUTKWASP State Variable Interactions	     48

 22   EUTRWASP State Variable Interactions	     49

 23   Phytoplankton Kinetics	     51

 24   Effects of Nutrient Limitation on Growth  Rate	     58

 25   Phosphorus Cycle	     64

 26   Nitrogen Cycle	     69

 27   Nitrogen Cycle	     70

 28   Ammonia Preference Structure	     72

 29   Oxygen Balance	     73

 30   Sediment-Water Exchange	     79

 31   Speciation, Transport, and Transformation Processes  in
        the Aquatic Environment	     87

 32   Physical-Chemical Processes	     88

 33   Examples of TOXIWASP Network Configurations	     92

 34   TOXIWASP Sediment Transport Processes	     95

 35   Particle Size and the Regimes of Sediment Erosion,
        Transport, and Deposition	     98

 36   TOXIWASP Sediment Burial	    100

 37   TOXIWASP Sediment Erosion	    102

 38   TOXIWASP Chemical Transport and Redistribution Processes	    104

 39   TOXIWASP Sorption Data	    110

 40   TOXIWASP General Kinetic Data	    112

                                     xi

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                             FIGURES (Continued)







Number                                                                Page




 41   Hydrolysis Example Reactions	     113




 42   pH Dependence of Hydrolysis Rate Constants	    114




 43   TOXIWASP Hydrolysis Data	    115




 44   Photolysis Example Reactions	    116




 45   TOXIWASP Photolysis Data	    119




 46   Microbial Transformations  of Toxic Chemicals	    121




 47   TOXIWASP Bacterial Degradation Parameters	    1 22




 48   Volatilization Example Reaction	    125




 49   TOXIWASP Volatilization Data	    1 29




 50   Processes Influencing the  Fate of Metals  in Rivers	    130




 51   Speciation of Metals in the Natural Environment	    131




 52   DYNHYD3 Flow Chart	    .115




 53   SUMRY Tape Description.	    320




 54   WASP Program Structure	    330




 55   Eutrophicdtion Subroutine  Structure	    349




 56   Toxic Subroutine Structure	    352




 57   PC Overlay Structure for WASP3	    256




 58   PC Overlay Structure for SUTRWASP	    357




 59   PC Overlay Structure for TOXIWASP	    358
                                    xii

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TABLES
Number
1
2
3
4
5
6
7
8
9
10
11
12

13
14
15

16

17

18
19












Concentration Related Symbols Used in Mathematical

Stoke1 s Setting Velocities at 20°C 	
Size of Typical Bacterial Populations in Natural Waters 	
Speciation of Priority Metals Between Dissolved and

Environmental Properties Affecting Interphase Transport and

Basic Chemical Properties Affecting Interphase Transport


EUTRWASP Systems 	
Page
2
45
57
61
63
65
71
77
82
84
86

93
96
123

132

133

135
136
165
xiii

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                              TABLES (Continued)







Number                                                                Page




 20    EUTRWASP Display Variables	   167




 21    TOXIWASP Display Tables	     169




 22    Contents of "NFS.DAT"	     341




 23    Contents of "PREQ.TMP"	     347
                                    xiv

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                               ACKNOWLEDGMENTS

     A manual of this type necessarily draws heavily upon the work of
others.  Part 1—Theory—incorporates much material from four previous
manuals on DYNHYD2 (Steve Roesen and Leo Clark), WASP (Dominic DiToro,
James Fitzpatrick, and Robert Thomann), the Potomac Eutrophication Model
(Robert Thomann and James Fitzpatrick), and TOXIWASP (Robert Ambrose,
Sam Hill, and Lee Mulkey).  In particular, text for Chapter 1.4 on the
eutrophication model is taken with little modification from the PEM
documentation report.  We gratefully acknowledge Drs. Thomann and
Fitzpatrick for this work.

     Two technical aides played a large role in organizing and assembling
this manual.  Joseph Cronk began the task, and Sarah Hussey continued his
effort, assembling the original drafts of the User Manual,  in addition,
Ms. Hussey drafted many of the figures, first for WASP training courses,
and then for the manual.

     Ms. Annie Smith typed the entire manual in less than two weeks while
continuing to serve an entire branch with grace and efficiency.  'Nuff said.

     John Connolly has been a popular lecturer in every WASP training
course.  Some of his course notes have inevitably been incorporated here,
particularly in Section 1.3.4 on the basic finite difference implementation.

     Finally, we'd like to thank the many users who participated in the
courses, shared professional experiences, and offered useful suggestions.
                                     xv

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                                  SECTION 1

                              WASP3 MODEL THEORY
     The Water Quality Analysis Simulation Program—3 (WASPS),  an enhancement
of the original WASP (Di Toro et al.,  1983), helps users interpret and predict
water quality responses to natural phenomena and man-made pollution for var-
ious pollution management decisions.  WASPS is a dynamic compartment modeling
program for aquatic systems, including both the water column and the underly-
ing benthos.  The time-varying processes of advection, dispersion, point and
diffuse mass loading, and boundary exchange are represented in the basic
program.

     Water quality processes are represented in special kinetic subroutines
that are either chosen from a library or written by the user.   WASP is struc-
tured to permit easy substitution of kinetic subroutines into the overall
package to form problem-specific models.  Versions of WASP have been used to
examine eutrophication and PCB pollution of the Great Lakes (Thomann, 1975;
Thomann et al., 1976; Thomann et al.,  1979; Di Toro and Connolly, 1980),
eutrophication of the Potomac Estuary (Thomann and Fitzpatrick, 1982), kepone
pollution of the James River Estuary (O'Connor et al., 1983),  volatile organ-
ic pollution of the Delaware Estuary (Ambrose, 1986), and heavy metal pollu-
tion of the Deep River, North Carolina (JRB, 1984).  In addition to these,
Table 1 provides a list of applications (Di Toro et al., 1983).

     The flexibility afforded by the Water Quality Analysis Simulation Pro-
gram is unique.  WASPS permits the modeler to structure one, two, and three-
dimensional models;  allows the specification of time-variable  exchange coeffi-
cients, advective flows, waste loads and water quality boundary conditions;
and permits tailored structuring of the kinetic processes, all within the
larger modeling framework without having to write or rewrite large sections
of computer code.  Although WASP's multidimensionality and time-variable
input capabilities are strong points,  it is probably the ease with which one
may develop new kinetic or reactive structures that is WASP's main strength.
WASP's generality, however, requires an additional measure of judgment and
insight on the part of the modeler.  The kinetic and transport structures are
not "hard wired" in WASP (i.e., the equations are not "fixed"  and "buried"  in
the code).  Therefore, the burden is on the modeler (perhaps together with  a
programmer) to write the applicable kinetic equations (or use those already
implemented) for a given problem context.

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-------
1.1  OVERVIEW OF THE WASP3 MODELING SYSTEM

     The WASPS system consists of two stand-alone computer programs, DYNHYD3
and WASPS, that can be run in conjunction or separately (Figure 1).  The
hydrodynamics program, DYNHYD3, simulates the movement of water while the
water quality program simulates the movement and interaction of pollutants
within the water.  The latter program is supplied with two kinetic sub-models
to simulate two of the major classes of water quality problems:  conventional
pollution (involving dissolved oxygen, biochemical oxygen demand, nutrients
and eutrophication) and toxic pollution (involving organic chemicals or
metals and sediment) .  The linkage of either sub-model with the WASPS program
gives the models EUTROWASP and TOXIWASP, respectively.  This is illustrated
in Figure 1  with blocks to be substituted into the incomplete WASPS model.
The tracer block is a dummy sub-model for substances with no kinetic interac-
tions.

     The basic principle of both the hydrodynamics and water-quality
program is the conservation of mass.  The water volume and water-quality
constituent masses being studied are tracked and accounted for over time
and space using a series of mass balancing equations.  The hydrodynamics!
program also conserves momentum, or energy, throughout time and space.
1.2  THE HYDRODYNAMICS MODEL

1.2.1  Overview of DYNHYD3

     The WASPS hydrodynamics model DYNHYD3 is an enhancement of the Potomac
Estuary hydrodynamic model DYNHYD2 (Roesch et al.,  1979),  which was a
component of the Dynamic Estuary Model (Feigner and Harris, 1970).  DYNHYD3
solves the one-dimensional equations of continuity and momentum for a
branching or channel-junction (link-node), computational network.  Driven
by variable upstream flows and downstream heads, simulations typically
proceed at 1- to 5-minute intervals.  The resulting unsteady hydro-
dynamics are averaged over larger time intervals and stored for later use
by the water-quality program.
1.2.2  The Hydrodynamic Equations

     The hydrodynamic model solves one-dimensional equations describing the
propagation of a long wave through a shallow water system while conserving
both momentum (energy) and volume (mass).   The equation of motion,  based on
the conservation of momentum, predicts water velocities and flows.   The
equation of continuity, based on the conservation of volume, predicts water
heights (heads) and volumes.  This approach assumes that flow is predominant-
ly one-dimensional, that Coriolis and other accelerations normal to the
direction of flow are negligible, that channels are rectangular with uniform
cross-sectional area, that the wave length is significantly greater than the
depth, and that bottom slopes are moderate.

-------
          INPUT
          DATA
                 MODEL
OUTPUT
 DATA
                                      TOXIC ORGANICS
                                      EUTROPHICATION
         Figure 1.  The basic WASP system.
1.2.2.1  Equation of Motion


     The equation of motion is given by:


          du
    8U
- U —
          3t
                                 af

-------
where:    3U
          —   =    the local inertia term, or the velocity rate of change
          9t        with respect to time, ft/sec2
          3U
        U —   =    the Bernoulli acceleration, or the rate of momentum
          9x        change by mass transfer; also defined as the convec:tive
                    inertia term from Newton's second law, ft/sec2


          a  a =    gravitational acceleration, ft/sec^
           g i *
          3f   =    frictional acceleration, ft/sec^

          a  £ =    wind stress acceleration along axis of channel, ft/sec^

          x    =    distance along axis of channel, ft

          t    =    time, sec

          U    =    velocity along the axis of channel, ft/sec.


     Gravitational acceleration is driven by the slope of the water surface.
Referring to Figure 2, the acceleration along the longitudinal axis is

          aq £  =  - g . sin S                                     2

where:

          g = acceleration of gravity = 32.2 ft/sec2

          S = water surface slope, ft/ft.

Because the value of S is small, sin S can be replaced by S.  Expressing S
as the change of water surface elevation with longitudinal distance gives:

                         cH
          *g,A  -  - 9 - ~                                         3
                         3x

where:

          H  =  water surface elevation, or head (height above an arbitrary
                datum), ft

     The frictional acceleration term can be expressed using the Manning
equation for steady uniform flow:

-------
                  Acceleration of Gravity = g
                          i= -g*sin S  » — g-S
                                     dH
         U
                 Figure 2.   Gravitational acceleration.
                   1.486 R2/3    3H 1/2
                       n
where:
          R

          n
hydraulic  radius (approximately equal to the depth), ft

Manning roughness coefficient  (usually between
0.01 and 0.10), sec.m-1/3

the energy gradient, ft/ft
          1.486 =   conversion factor, ftV3.m-V3

-------
 Referring to Figure 3, gravitational acceleration balances frictional
 resistance for  steady flow conditions,  such that:

                          8H
               af   =  - g _                                  5
                     For Steady Uniform Flow

                  Manning .       1.485 R2/3  dH
                  Equation    U =	
                                        dH
                    Over Short Time Interval
                            -gn
                         2.208R4/3
                                         u
                  Figure 3.  Frictional acceleration.
Unfortunately, tidally influenced estuaries rarely experience truly steady
flow.   Over short time intervals, however,  flow may be considered steady and
uniform.  Consequently, the energy gradient from equation 4 can be substi-
tuted  into 5 to give:
                       2.208 R4/3
                                 . U.
where U2 has been replaced by U times the absolute value of U so friction
will always oppose the direction of flow.
                                   10

-------
     Referring to  Figure 4, the magnitude of the wind  acceleration term can

be derived from the shear stress equation at the air-water boundary:
where:
       T   =  the boundary  shear stress, Ib /ft-sec2
        w                                 »l


       Cd  =  the drag coefficient (= 0.0026),  unitless



       p   =  the density of air, Ib /ft3
        3.                          ll^


       W   =  the wind speed (relative to the moving  water  surface) measured

              at a height of 10 meters, ft/sec
                                                  / Wind \
                                              W  vSpeed;
                             10 Meters
                      As
                   R
                            w  = Cd P
                          ' w  ~
                                   * "
                           aw= FW/(VW./>W)
                           Cd =0.0026


                       p /p   =1.165  XKT3
                        Q  W


                  Figure  4.  Wind acceleration magnitude.
                                      1 1

-------
The force exerted on the water surface, Ag , is:

               Fw   •    Tw • As                                 8

Substituting equation 7 gives:

               Fw   -    Cd As ^ w2                             9

This force causes a volume of water v  to accelerate in the wind direction:
                                     w
                        Fw
                      vw . pw
                                                                 10
Substituting equation 9 gives the following equation for the wind acceleration
term:
cd Pa
--
R  Pw
               aw  »    -- VT                                 11
where  pw = density of water, lb /f t3


               —  »   1.165 x 10-3
               Pw

The hydraulic radius, R, is equal to the volume divided by the cross-

sectional area:

               R   »   Vw/As                                     12

where:  Ag " surface area, ft2

        Vw * water volume, ft3

     Referring to Figure 5, the component of acceleration along the channel
axis is:

                         cd  Pa   ,
               aw 4   =  —  ~ '  w  cos *                        13
                          R  Pw

where ¥  * the angle between the channel direction and the wind direction
           (relative to the moving water surface)

Both the water and wind have velocity components that contain both magnitude
and direction.  If the water is moving with a velocity U, then the wind
velocity W experienced at the water surface is given by the following (see
Figure 6):


                                      12

-------
                        w
                    Magnitude = W
                     Direction = a
                                                   \ ou
                                          v—r^
                                        ^J>^
                              N
                                          Channel
                       Channel Direction =  Q
                           Wind Direction =  a

                           Relative Angle =  v|/
                  Figure  5.  Wind stress direction.
where:
                    'obs
14
      wobs = the wind velocity observed  at a stationary location,  32.2 ft
            (10 meters) above the water surface (magnitude = w b
            direction = )

      U   = the water velocity (magnitude = u, direction = e)

Therefore, W is the relative wind velocity with magnitude W, and the
effective wind angle relative to the channel axis  is
     »  = a - 9
                                                                15
                                   13

-------
              WOBS

                 Wind
            Magnitude = WOBS
              Direction =
                                    Channel
                                   Magnitude = u
                                    Direction2 9
                   W =
          Effective
            Wind
           Vector
                         Magnitude =  W
                           Direction =  <*
v// = c
t-0
                                                          'OBS
              Figure 6.   Wind  stress.
Given observations of Woks, U,  <(>,  and 9, the magnitude and direction of W
can be calculated using vector analysis (Figure 7):
        = tan-1
wobs2 - 2.U.Wobs.cos(9-4)

  wobs sin (ji  - u sin 9
                 "obs
                     cos
           4  - U cos 9
                                                                 16
                                                   17
     Wind acceleration can either enhance or oppose stream flow, depending
on the relative direction of the wind  f.  For wind blowing normal to the
channel axis, cos ¥ = 0, and there is  no acceleration along the axis.  For
wind blowing along the axis in a positive direction, cos Y = +1.  Positive
flow in the channel will be enhanced,  and negative flow will be opposed.

-------
           Vector
             u
     U sing
     Ucos0
           WOBS

             W
  Woes sin 
WOBS sin<£- Usin
  Woes  cos
WOBS cos<£-Ucos0
              W2 =  U2-t-Woes2  -dUWoBS  •  cos(0-d>)

                      .   WOBS sin 4 -Usin0
                a = ton'1   	
                         WOBS
           Figure 7.  Wind stress vector analysis.
Conversely,  for wind blowing along the axis in a negative direction,  cos
-1.  Positive flow in the channel will be opposed, and negative flow  will
be enhanced  (refer to Figure 8).
              Wind and Stream
                 Directions
                        Effect
W-*|u| 90° 0
••— 0» 1
•^£5" 180° -1
•0~ 180- -1
—77 0- 1
None
Enhanced
Acceleration
Opposed
Opposed
Enhanced
            Figure 8.  Wind stress effects.
                                   15

-------
  1.2.2.2  Equation of Continuity


      The equation of continuity is given by:


           3A       3Q


           ft  =  " fc                                          18

 where:


      A = cross-sectional area, ft2


      Q = flow,  ft3/Sec


 For rectangular  channels of constant width b (refer to Figure 9).

      3H     1    SQ


      8t " ~b ' ^                                             19




                 EQUATION OF CONTINUITY


                            aA     aQ

                            at "   aX





                 RECTANGULAR CHANNELS


                 (Q+SQ)—»s^



                           d\±	L aQ
                            at     b  ax

                           /       \
                        Rate of       Rate of
                     Water Surface    Volume
                    Elevation Change   Change


                  Figure 9.  Equation of continuity.

where:


          b = width, ft


          H = water surface elevation (head), ft


         9H = rate of water surface elevational change with respect to
         dt  time, ft/sec



                                  16

-------
      1 . 3g  = rate of water volume  change with respect to distance
      b   3x    per unit width,  ft/sec
1.2.3  The Model Network

     Equations 1 and 19 form the basis  of  the hydrodynamic model DYNHYD3.
Their solution gives velocities (U) and heads (H) throughout the water body
over the duration of the simulation.  Because closed-form analytical solu-
tions are unavailable,  the solution of  equations 1 and 19 requires numerical
integration on a computational network, where values of U and H are calcu-
lated at discrete points in space and time.

     A flexible, computationally efficient type of network has been developed
for these equations (Feigner and Harris, 1970).  The "link-node" network
solves the equations of motion and continuity at alternating grid points.
At each time step, the  equation of motion  is solved at the links, giving
velocities for mass transport calculations, and the equation of continuity is
solved at the nodes, giving heads for pollutant concentration calculations
(Figure 10) .
            LINKS (CHANNELS) - CONVEY WATER
            NODES (JUNCTIONS) - STORE WATER
            AT EACH TIME STEP:
              EQUATION
                 OF
               MOTION
LINKS
VELOCITY
FLOWS


MASS
TRANS-
PORT
              EQUATION
             OF CONTINUITY
NODES



HEADS
VOLUMES


POLLUTANT
CONCEN-
TRATION
            Figure 10.   Model  network.


     A physical interpretation of  this  computational network can be developed
by picturing the links  as  channels conveying water and the nodes as junctions
storing water (Figure 11).  Each junction is a volumetric unit that acts as
a receptacle for the water transported  through its connecting channels.
Taken together, the junctions  account for all the water volume in the river
or estuary.  Parameters influencing the storage of water are defined within
this junction network.   Each channel is an idealized rectangular conveyor
that transports water between  two  junctions, whose midpoints are at each end.
                                     17

-------
18

-------
Taken together, the channels account for all the water movement in the river
or estuary.  Parameters influencing the motion of water are defined within
this channel network.  The link-node computational network, then, can be
viewed as the overlapping of two closely related physical networks of chan-
nels and junctions.
                                     X
     Junctions are equivalent to segments in the water quality model, whereas
channels correspond to segment interfaces.  Channel flows are used to calcu-
late mass transport between segments in the water quality model.  Junction
volumes are used to calculate pollutant concentrations within water quality
segments.

     Link-node networks can treat fairly complex branching flow patterns and
irregular shorelines with acceptable accuracy for many studies.  They cannot
handle stratified water bodies, small stream, or rivers with a large bottom
slope.  Link-node networks can be set up for wide, shallow water bodies if
primary flow directions are well defined.  Results of these simulations
should be considered descriptive only.
1.2.4  Implementation of the Equations

     To apply differential equations 1 and 19 to a link-node computational
network, they must first be written in a finite difference form.  The
equation of motion becomes:

     Of - U±           A0i     AHi        g nf
       At              bx±     AXi     2.208Ri4/J

                   Ctf  Pa
                 + —  —  . W? . cos V±                            20
                   Ri  PW

where:    U^ =    the velocity in channel i at time t, ft/sec

          Ax^=    the channel length, ft

          At =    the time step, sec

          i  =    channel or link number

          AUj =    velocity gradient in channel i with respect to
          Ax^     distance, sec"1

          AHj =    water surface gradient in channel i with respect to
          AX-L     distance, ft/ft

All values on the right hand side of equation 20 are referenced to the
previous time step (t-1).
                                      19

-------
     The water surface gradient, An^/Axf, can be computed from the junction
heads at either end of the channel.  The velocity gradient, however, cannot
be computed directly from upstream and downstream channel velocities because
of possible branching in the network.  If branching does occur, there would
be several upstream and downstream channels, and any computed velocity gra-
dient would be ambiguous.  An expression for the velocity gradient within a
channel can be derived by applying the continuity equation 18 to the channel
and substituting U . A for Q:

          3A       8Q         3A      3U
          —  =  -—  =  -U —  -A —                            21
          at       ax         ax      ax

Rearranging terms:

          3U       1 /3A\  U  /8A\
          -  -  - -  - - - • H                                   22
          ax       A Vat/  A  Vax/

Writing this in finite difference form and substituting b.R for A and
b.AH for 8A gives the following expression for the velocity gradient:

          Alb        1   AHJ     Ui  AHj

          Ax^       R-^   At     R^  Ax^

The term AH^/At is computed as the average water surface elevational
change between the junctions at each end of channel i during time step t.
Substituting equation 23 into 20 and rearranging gives the explicit finite
difference equation of motion applied to each channel i:
                                    *i
                        V.
                         i   i     i         i
          u£ = U± + At [ -- + ( -- g) -
                        Ri At     Ri
                         ni2      ,   ,    Cd pa
                                                    • cos           24
                   2.208Ri
                     4/3    x' 1'   R. p

Writing the equation of continuity (19) in finite difference form gives:
          *i - H.           AQ.
          J	i_  ,	£	                                  25
             At          bj . AXJ

The numerator AQ^ is given by the summation of all flows entering and
leaving the junction.  The denominator bj.Axj can be expressed directly
as the surface area A? of the junction.  Substituting these identities
into equation 25 and rearranging gives the explicit finite difference
equation of continuity applied to each junction j:
                                      20

-------
             = H.  - At
                           I  Qij
                                     26
^
     At this point, one equation for each channel and each junction in the
computational network exists.  Given input parameters describing the network
configuration and geometry, initial values for channel velocities and junc-
tion heads, boundary conditions for downstream heads, and forcing functions
for freshwater inflow and wind stress,  equations 24 and 26 are solved using  a
modified Runge-Kutta procedure.  The solution proceeds in eight steps,  which
are repeated throughout the simulation:

     1)   For the middle of the next time interval (i.e., for time t + At/2),
          the mean velocity for each channel is predicted using the channel
          velocities and cross-sectional areas and the junction heads at the
          beginning of the current time interval.

     2)   For t + At/2, the flow in each channel is computed using the
          velocity obtained in step (1) and the cross-sectional area at the
          beginning of the current interval.

     3)   At t + At/2, the head at each junction is computed using the
          flows derived in step (2).

     4)   At t + At/2, the cross-sectional area of each channel is computed
          using the heads computed in step (3).

     5)   The mean velocity for each channel is predicted for the full time
          step (t + At) using the velocities, cross-sectional areas, and
          junction heads computed for t + At/2 in steps (1), (3), and (4).

     6)   The flow in each channel for  t + At is computed using the
          velocity for the full time step (computed in step 5)  and the
          cross-sectional area computed for t + At/2 in step (4).

     7)   The head at each junction after t + At is computed using the full
          step flow computed in step (6).

     8)   The cross-sectional area of each channel after a full time step is
          computed using the full step heads from step (7).

     9)   Repeat steps (1) through (8)  for the specified number of time
          intervals.
1.2.5  The Model Parameters

     This section summarizes the input parameters that must be specified in
order to solve the equations of motion and continuity.  Other parameters
calculated by the model also are discussed.
                                     21

-------
1.2.5.1  Junction Parameters


     The input parameters associated with junctions are initial surface
elevation (head), surface area, and bottom elevation.  Volumes and mean
depths are calculated internally.  A definition sketch is given in Figure
12.
                                         JUNCTION
                                       SURFACE AREA
                                                   HEAD
DEPTH
1


• I Hftl

r/l/'^/'/XXX'X/X^XX^X//^^/'^XXX/^
BOTTOM
ELEVATION
            Figure 12.  Definition sketch of junctions.
                                     22

-------
     Surface elevation or head, ft--Junction heads represent the mean eleva-
tion of the water surface above or below an arbitrary horizontal datum.  The
datum is usually the mean local sea level.  If initial surface elevations
are not input, they will be calculated from bottom elevation and depth.

     Surface area, ft2--Except when branching or looping occurs (i.e., when
more than two channels enter a junction), the surface area of a junction is
equated to one-half of the sum of the surface areas of the two channels
entering the junction.  When branching or looping does occur, the junction
surface areas can be determined by laying out a polygon network using the
Thiessen Polygon method, as in Figure 12.  Since the polygons are normally
irregular, a planimeter must be used to obtain the surface areas.

     Bottom elevation, ft—The mean elevation of the junction bottom above
or below the datum is defined as the bottom elevation.  If initial surface
elevations are specified, bottom elevations will be calculated internally
by subtracting the mean depth from the mean head.

     Volume, ft2—initial junction volumes are computed internally by multi-
plying the junction surface area by the mean depth of the channels (weighted
by their cross-sectional area) entering the junction.  Junction volumes are
updated throughout the simulation by adding the product of the surface area
and the change in surface elevation to the initial volume.
1.2.5.2  Channel Parameters

     The input parameters associated with channels are length, width, hydrau-
lic radius or depth, channel orientation, initial velocity, and Manning's
roughness coefficient.  A definition sketch is given in Figure 13.

     Length, ft—The channel length is the distance between the midpoints
of the two junctions it connects.  Channels must be rectangular and should
be oriented so as to minimize the depth variation as well as reflect the
location and position of the actual prototype channels.  The channel length
is generally dependent on a computational stability criteria given by:
              .                                                      27

where:

          l^   =    length of channel i,  ft

          y^   =    mean depth of channel i, ft

          U.JL   =    velocity in channel i,  ft/sec

          At   =    computational time step

          g    =    acceleration of gravity
                                     23

-------
VELOCITY
PROFILE


^K t
1 ) WIDTH
JS i
1
TOP
VIEW
              I
           L.H AVERAGE
           I    | VELOCITY
           I    I
VELOCITY
PROFILE
1 \7
! / AVERAGE
V DEPTH
xf
HYDRAULIC
RADIUS
SIDE
VIEW
           )*-	WIDTH-
CROSS      |
SECTIONAL
AREA       I
AVERAGE
DEPTH
I  PLAN
I  VIEW
                                         CHANNEL
                                         ORIENTATION
  Figure 13. Definition sketch for channels.

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     Width, ft—There is no apparent limit on the width of a channel,  if a
channel is too wide in relation to its length, however, the mean velocity
predicted may mask important velocity patterns occurring on a more local
scale.  For well defined channels, the network channel widths are equated to
the average bank to bank width.

     Cross-sectional area, ft2--The cross-sectional area of a channel is
equal to the product of the channel width and depth.  Depth, however, is a
channel parameter that must be defined with respect to junction head or water
surface elevation (since both vary similarly with time).  Initial values of
width and depth based on the initial junction heads and the initial cross-
sectional areas are computed internally.  As the junction heads vary, the
channel cross-sectional areas are adjusted accordingly.

     Roughness—Channels are assigned "typical" Manning Roughness coeffi-
cients.  The value of this coefficient should usually lie between 0.01  and
0.08.  Because this parameter cannot be measured, it serves as a "knob" for
the calibration of the model.

     Velocity, ft/sec—An initial estimate of the mean channel velocity is
required.  Although any value may be assigned, the computational time re-
quired for convergence to an accurate solution will depend on how close the
initial estimate is to the true value.

     Hydraulic radius, ft--Previous applications of DYNHYD have used channels
whose widths are greater than ten times the channel depth.  Consequently, the
hydraulic radius is usually assumed to be equal to the mean channel depth.

     Channel orientation, degrees--The channel orientation is the direction
of the channel axis measured from true north.  The axis is assumed to point
from lower junction number to higher junction number, which by convention, is
the direction of positive flow.
1.2.5.3  Inflow Parameters

     Inflows can be specified as constant or time variable.  Inflows are
represented by negative flows; outflows are represented by positive flows.
For each time-variable inflow, a piecewise linear function of flow versus
time is specified, as in Figure 14.  If the simulation extends beyond the
last specified flow, the flow assumes a constant inflow equal to the last
specified flow.
1.2.5.4  Downstream Boundary Parameters

     The downstream boundaries can be defined by either specifying outflows
or surface elevations (tidal function).  Outflows are handled as negative
inflows, as discussed above.  Surface elevations at each downstream boundary
can be specified by an average tidal function or by a variable tidal func-
tion.  A definition sketch is provided in Figure 15.
                                     25

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Flow
                                    Time
                         Piecewise Linear Function
Day
1
2
3
4
5
6
7
Time
Hour :Min
09 30
10 00
13 00
12 30
12 00
18 30
09 30
Flow
ft3/sec
30.
40.
80.
70.
75.
20.
30
                      Figure 14  Inflow Time Function
     Average tidal function:  For some simulations, the average tidal vari-
ability will produce accurate predictions of tidal transport.  Tidal heights
(referenced to the model datum) are specified at equally spaced intervals
throughout the average tidal cycle.  Normally, 30-minute intervals will
suffice.  These data can be obtained from tidal stage recorders located at or
near the model boundary,  if no recorders are available, the predictions
presented in the U.S. Coast and Geodetic Survey Tide Tables can be used.

     DYNHYD3 reduces the height versus time data to the following function
using the subroutine REGAN.
                         A2sin(u)t)+A3sin(2ut)+A4sin(3ut)
where:
                                                                    28
tidal elevation above or below the model datum, ft
regression coefficients, ft
                                    26

-------
o
LlJ
                 ro
                                                                  o
                                                                  to
                                                                  CM
                                                                  8
                                                                  O
                                                                  o
                                                                  a>
                                                                  o
                                                                  o
                                                                  to
                                                                  to
                                                                  o
                                                                  o
                                                                  o
                                                                  (VI
                                                                  s
                                                                  in
                                                              10
                                                                  O
                                                                  o
                                                                  oo
                                                                  O
                                                                  o
                                                                  to
                                                                  CM
                                                                  O
                              o
                              o
                              o>
                                                                  o
                                                                  o
                                                                  8
                                                                  o
                                                                  o
                                                                  CM
                                                                  o
                                                                  8
                                                                  (0
                                                                  o
                                                                  s
                                  UJ


                                  CD
(S
T!
C
3
0
X!
                                      4J
                                      (0
                                      M-l
                                       O


                                      •6
                                      4->
                                       Q)
                                      J
-------
          o    =     2f/tidal period, hr~1

          t    -     time, hr

If the regression coefficients A^ are known,  they can be specified instead
of the height versus time data.  All seven of the coefficients must be
specified in the above order.   The average tidal function is repeated
throughout the simulation.

     If data are available, variable tide patterns may be simulated by .'speci-
fying the highs and lows of each tidal cycle.  In this case, the subroutine
RUNKUT will compute a sinusoidal curve between the data points,  if simula-
tion extends beyond the tidal  cycle, the cycle will repeat.  To insure this
repetition, an odd number of data points must be specified with the last data
point equal to the first.
1.2.5.5  Wind Parameters

     The input parameters associated with wind acceleration are wind speed,
wind direction, channel orientation, and channel hydraulic radius.  The last
two were discussed as channel parameters.  A definition sketch was provided
in Figure 1 2.

     Wind speed (ft/sec) and direction (degrees from true north) are measured
at a point 10 meters above the water surface.  This wind is to be representa-
tive for the entire water body.  Values of wind speed and direction can vary
with time.  Piecewise linear functions of wind speed and direction versus
time are specified (similar to Figure 14 for flow).  If the simulation ex-
tends beyond the last specified wind, the piecewise linear functions are
repeated.
1.2.6  Application of the Model

     A great deal of flexibility is allowed in laying out the network of
interconnected channels and junctions that represent a system, but there are
several guidelines for making the best representation.  First, both hydraulic
and quality factors should be considered when selecting boundary conditions.
Ideally, the downstream boundary should extend to a flow gage, a dam, or the
ocean.  The upstream boundary should extend to or beyond the limits of any
backwater or tidal effects on the inflowing streams.  Such a network elimi-
nates problems associated with dynamic boundary conditions, such as changing
salinity or other quality conditions, which could be present if an inland
point were chosen for the seaward boundary.  Other considerations influencing
boundary locations and the size of network elements include the location of
specific points where quality predictions are required, the location of
existing or planned sampling stations (and the availability of data for
verification), the degree of network detail desired, and the computer time
available for solution.
                                       28

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     In most applications of DYNHYD3, Manning's roughness coefficient (n)
will be the primary calibration parameter.  The value of n can be highly
variable, depending on such factors as bed roughness, vegetation, channel
irregularities in cross-section or shape, obstructions, and depth,  values
of n can potentially vary from less than 0.01 to greater than 0.08.  For the
larger rivers, reservoirs, and estuaries to which DYNHYD3 can be applied,
however, values will usually fall between 0.01 and 0.04.  Deeper, straighter
reaches have lower roughness coefficients.  In general, the value of n in-
creases upstream as channels become more constricted and shallow.

     When calibrating DYNHYD3, changing the value of n in one channel affects
both upstream and downstream channels,  increasing n causes more energy to be
dissipated in that channel.  As a result, the height of a tidal or flood wave
will decrease and the time of travel through the channel will increase.
Lowering n decreases the resistance to flow, resulting in a higher tidal or
flood wave and a shorter time of travel.

     If the hydrodynamic results generated by a DYNHYD3 simulation are to be
stored for use by WASPS, then both the networks and the time steps must be
compatible (though not identical).  Every DYNHYD3 junction must coincide
exactly with a WASP3 segment.  WASP3 may have additional segments not repre-
sented by junctions.  For example, WASP3 benthic segments will have no cor-
responding junctions.  Junction numbering need not correspond to segment
numbering.  Junction to segment mapping is specified in the WASP3 input data
set.  The WASP3 time step must be an even multiple of the DYNHYD3 time step.
The ratio of time steps must be specified in the DYNHYD3 input data set.
Typical ratios are between 6 and 30.  Segmentation and time steps for WASPS
are discussed in the next section.
1.3  THE BASIC WATER QUALITY MODEL

     WASP3 is a dynamic compartment model that can be used to analyze a
variety of water quality problems in such diverse water bodies as ponds,
streams, lakes, reservoirs, rivers, estuaries, and coastal waters.  This
section presents the basic water quality model used to simulate dissolved,
conservative chemicals, such as chlorides or dye tracer.
1.3.1  Overview of WASP3

     The equations solved by WASP3 are based on the key principle of the
conservation of mass.  This principle requires that the mass of each water
quality constituent being investigated must be accounted for in one way or
another.  WASP3 traces each water quality constituent from the point of
spatial and temporal input to its final point of export, conserving mass in
space and time.

     To perform these mass balance computations, the user must supply WASP3
with input data defining seven important characteristics:
                                     29

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          model segmentation
          advective and dispersive transport
          boundary concentrations
          point and diffuse source waste loads
          kinetic parameters, constants, and time functions
          initial concentrations
          simulation and output control

These input data, together with the general WASP3 mass balance equations and
the specific chemical kinetics equations, uniquely define a special set of
water quality equations.  These are numerically integrated by WASP3 as the
simulation proceeds in time.  At user-specified print intervals, WASP3 saves
the values of all display variables for subsequent retrieval by post-processor
subroutines.  These routines produce tables, time plots, and spatial plots of
variables specified by the user.
1.3.2  The General Mass Balance Equation

     A mass balance equation for constituents in a body of water must account
for all the material entering and leaving through direct and diffuse loading;
advective and dispersive transport; and physical, chemical, and biological
transformation.  Consider the coordinate system shown in Figure 16, where the
x- and y-coordinates are in the horizontal plane, and the z-coordinate is in
the vertical plane.  The mass balance equation around an infinitesimally
small fluid volume is:
3C
            9
     — = -- (ux.c) -- (uy.c) -- (uz.c)
     3t      3x          3y          3z
            a      ac    a      ac     a     ac
            — (Ejj.—)  + — (Ey. —) + ~ (Eg	)
            dx     3x    dy     3y    dz     3z
                  B
                                                                    29
where:

     C

     t

Ux,Uy,Uz

Ex,Ey,Ez



     SL
          concentration of the water quality constituent,

          time,  T

          longitudinal, lateral,  and vertical advective velocities,  L/T

          longitudinal, lateral,  and vertical diffusion coefficients,
          L2/T

          direct and diffuse loading rate,  M/L^/T
                                     30

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                  WATER  QUALITY EQUATION
          Figure  16.  Coordinate system for mass balance equation.
     SK


     L

     M
boundary loading rate (including  upstream, downstream, benthic,
and atmospheric),  M/L^/T

total kinetic transformation rate; positive is  source, negative
is sink, M/L3/T

length
               mass
     T    =    time

     By expanding the infinitesimally  small  control volumes into larger ad-
joining "segments," and by specifying  proper transport, loading, and trans-
formation parameters, WASP implements  a  finite-difference form of equation
29.  For brevity and clarity,  however, the derivation of the finite-difference
form of the mass balance equation will be for a one-dimensional reach.
Assuming vertical and lateral  homogeneity, we can integrate equation 29 over
y and z to obtain

     33                          3C
     — (A.C)  = — (-Ux . A .  C + Ex . A . —)
     3t         3x                         9x
              + A . (SL+SB)  + A
                                                    30
where:
     A    =    cross-sectional area,  L^

This equation represents  the three  major classes of water quality processes--
transport (term 1),  loading (term 2),  and  transformation (term 3).
                                     31

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     Transport includes advective flow and dispersive mixing,  which move the
water quality constituents within a water body.   Advective  flow carries  the
water quality constituents "downstream" with the water and  accounts for
instream dilution (advective flows may reverse direction in estuaries due to
tide, in lakes due to wind, or in rivers due to backwater). Dispersion
causes further mixing and dilution of the water quality constituents as  they
move from regions of high concentration to regions of low concentration,  in
rivers, dispersion causes exchange between the main channel and any side
embayments.  In reservoirs and lakes, dispersion also causes mixing between
surface and bottom-waters.  In estuaries, dispersion also causes additional
upstream tidal and density-driven mixing.

     Loading includes both direct external input of pollutants to the water
body and indirect interaction with the boundaries.  While external inputs of
pollutants are primarily man-made in origin, they can be natural.  Examples
include municipal and industrial discharges, combined sewer overflow, urban
runoff, agricultural runoff, atmospheric deposition, rainfall, and subsurface
runoff,  indirect boundary loads also can be originally man-made.  These
loads derive from upstream and downstream water concentrations, as well  as
benthic and atmospheric concentrations.

     Transformation includes a diverse set of water quality kinetics and
equilibria, which describe the important interactions among the water quality
constituents.  Transformations are independent of location  per se, although
they are functions of exogenous variables such as temperature, light, and pH,
which may vary with location and time.  The same transformation equations are
used for each location throughout the water body.  Thus, given local values
of the exogenous variables, the rate or extent to which any transformation
proceeds is controlled by the local constituent concentrations.
1.3.3  The Model Network

     The model network is a set of expanded control volumes,  or "segments,"
that together represent the physical configuration of the water body.   As
Figure 17 illustrates, the network may subdivide the water body laterally
and vertically as well as longitudinally.   Benthic segments can be included
along with water column segments.  If the  water quality model is being linked
to the hydrodynamic model, then water column segments must correspond  to the
hydrodynamic junctions.  Concentrations of water quality constituents  are
calculated within each segment.  Transport rates of water quality constituents
are calculated across the interface of adjoining segments.

     Segment volumes and the simulation time step are directly related.  As
one increases or decreases, the other must do the same to insure stability
and numerical accuracy.  Segment size can  vary dramatically,  as illustrated
in Figure 18.  Characteristic sizes are dictated primarily by the spatial and
temporal scale of the problem being analyzed.  This is more important  than
the characteristics of the water body or the pollutant per se.  For example,
analyzing a problem involving the upstream tidal migration of a pollutant
into a water supply might require a time step of minutes to an hour.  By
contrast, analyzing a problem involving the total residence time of that

                                      32

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Figure 17. ' Model segmentation
    MODEL
  DESIGNATION
           HORIZONTAL
NUMBER OF  SCALE (km*)
SEGMENTS   |P«UMN|ON
   LAKE 1
   LAKE 3
            13,000
                                    67     20O-1000
 ROCHESTER  -
 EMBAYMENT
    72
1O-1OO
Figure  18.   Spatial scales used in Lake Ontario

  Analysis.
                         33

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pollutant in the same water body could allow a time step of hours to a day.
In Figure 18, the first network was used to study the general eutrophic
status of Lake Ontario.  The second network was used to investigate the
lake-wide spatial and seasonal variations in eutrophication.   The third
network was used to predict changes in near-shore eutrophication of Rochester
Bnbayment resulting from specific pollution control plans.

     As part of the problem definition, the user must determine how much of
the water quality frequency distribution must be predicted.  For example, a
daily-average dissolved oxygen concentration of 5 mg/L would not sufficiently
protect fish if fluctuations result in concentrations less  than 2 mg/L for
10% of the time.  Predicting extreme concentration values is  generally more
difficult than predicting average values.  Figure 19 illustrates typical
frequency distributions predicted by three model time scales  and a typical
distribution observed by rather thorough sampling as they would be plotted on
probability paper.  The straight lines imply normal distributions.  Reducing
the model time step (and consequently segment size) allows  better simulation
of the frequency distribution.  This increase in predictive ability, however,
also entails an increase in the resolution of the input data.
                                                      STEADY-STATE
              _L
_L
                               SO
                 95
                    CUMULATIVE PROBABILITY
        Figure 19.  Frequency distribution of  observed and calculated
          values of a quality variable.
     Once the nature of the problem has been determined,  then the temporal
variability of the water body and input loadings must be  considered.   Gen-
erally, the model time step must be somewhat less than the period of  varia-
tion of the important driving variables.  In some cases,  this restriction can
be relaxed by averaging the input over its period of variation.   For  example,
phytoplankton growth is driven by sunlight, which varies  diurnally.  Most
eutrophication models, however, average the light input over a day, allowing
time steps on the order of a day.

-------
     Care must be taken so that important non-linear interactions do not get
averaged out.  When two or more important driving variables have a similar
period of variation, then averaging may not be possible.  One example is the
seasonal variability of light, temperature, nutrient input, and transport in
lakes subject to eutrophication.  Another example involves discontinuous
batch discharges.  Such an input into a large lake might safely be averaged
over a day or week, because large scale transport variations are relatively
infrequent.  The same batch input into a tidal estuary cannot safely be
averaged, however, because of the semi-diurnal or diurnal tidal variations.
A third example is salinity intrusion in estuaries.  Tidal variations in
flow, volume, and dispersion can interact so that accurate long-term predic-
tions require explicit simulation at time steps on the order of hours.

     Once the temporal variability has been determined, then the spatial
variability of the water body must be considered.  Generally, the important
spatial characteristics must be homogeneous within a segment,  in some cases,
this restriction can be relaxed by judicious averaging over width, depth,
and/or length.  For example, depth governs the impact of reaeration and sedi-
ment oxygen demand in a column of water.  Nevertheless, averaging the depth
across a river would generally be acceptable in a conventional waste load
allocation, whereas averaging the depth across a lake would not generally be
acceptable.  Other important spatial characteristics to consider (depending
upon the problem being analyzed) include temperature, light penetration,
velocity, pH, benthic characteristics or fluxes, and sediment concentrations.

     The expected spatial variability of the water quality concentrations
also affects the segment sizes.  The user must determine how much averaging
of the concentration gradients is acceptable.  Because water quality condi-
tions change rapidly near a loading point and stabilize downstream, studying
the effects on a beach a quarter-mile downstream of a discharge requires
smaller segments than studying the effects on a beach several miles away.

     A final, general guideline may be helpful in obtaining accurate simula-
tions: water column volumes should be roughly the same.  If flows vary signi-
ficantly downstream, then segment volumes should increase proportionately.
The user should first choose the proper segment volume and time step in the
critical reaches of the water body (Vc, Atc), then scale upstream and down-
stream segments accordingly:

     vi - vc • Qi/Qc                                                31

Of course,  actual volumes specified must be adjusted to best represent the
actual spatial variability, as discussed above.  This guideline will allow
larger time steps and result in greater numerical accuracy over the entire
model network, as explained in Section 1.3.5.6.
1.3.4  Implementation of the Mass Balance Equation

     WASP solves a finite difference approximation of equation 29 for a
model network that represents the important characteristics of the real
water body.  This section explains the derivation of WASP's finite differ-

                                      35

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ence mass balance equation using the one-dimensional form for convenience.
Regrouping the terms in 30 for mathematical convenience gives:
     8              3             3            3C
     — (A . C) =	(Q . C) + — (Ex . A .—) + A  . S*3
     3t             3x            3x           3x
                                                              32
where:

     ST   =    total source/sink rate = SL + SB + SK, ML3/T

     Q    =    volumetric flow = A  . U, L3/T

Assuming that derivatives of C are single-valued, finite, continuous func-
tions of x, as in Figure 20, then the Taylor's series expansion gives:
                         ac
                  + Ax . —
                         9x
                             3x2
                + - Ax-
                  6
           3x3
                                                         ...  33
                         ac
     cx -AX - cx  - AX • —
       o        °        3x
- tor
                             3x2
- - AxJ .
                            3x3
                                                      +  ...  34
Assuming that terms containing the third and higher powers of Ax are negli-
gible in comparison with the lower powers of Ax, then equations 33 and 34
can be subtracted to give:
     3c

     dx
Cx0+Ax - Cx0-Ax
  2Ax
                                                              35
with an error term of order Ax2.  Referring to Figure 20, this equation
states that the slope of the line AB is equal to the slope of the  tangent
centered at P.  This is known as the central-difference approximation.  The
slope at P may also be approximated by the slope of the line PB, giving the
forward-difference formula:
     dc

     3x
Cx0+Ax - cxQ
                                                              36
  Ax
Similarly, the slope at P may be approximated by the slope of  the  line AP,
giving the backward-difference formula:
     dc
     dx
*x  —  x —Ax
  O     O
      Ax
                                                                            37
                                      36

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                    X0-2AX X0-AX  X0  XC+AX  X«>+2AX
X0-2AX  X0-AX
                                             X0+2AX


J-

-1

	 1 	
i
, 	 !,_-»
J H

hi


^
              •i'M
              vi» i*i
             Figure  20.   Definition  sketch  for  finite  difference
                equation.

Equations 36 and 37 can be obtained from 33 and 34, respectively, by assuming
the second and higher order powers of Ax are negligible.  The error term
for both the forward-difference and the backward difference approximation is
of order Ax.

     Substituting the central difference approximation into the advection
term of 32 gives:
                                      37

-------
                      x  . Cx0+Ax - Qx0-A x  . Cx0-A x
                             2 Ax
Similarly, the dispersion term becomes:
     3            3c
     — (Ex . A . —) =
              9c
            .  8x
x^+Ax - (E*A)x -Ax .
                                                               3c
                                            2  Ax
                                                                            38
x -Ax    39
Substituting the central difference approximation into _3C
                                                       ~3x~
equation 39 gives:
                                   xn+Ax in
     — (EX.A.-— )
              3c    (E'A)x0+Ax .
                                 Cx0+2Ax - CxQ
               2Ax
                                       xo -
        (E.A)XQ_ Ax
2 Ax
                                                 — 40
                                                           2  \x
     When applying the difference approximations to segment "j" in a network
as in Figure 20, xo corresponds to the center of j, x0 +  .ix to the interface
j, j+1, xo - Ax to the interface j-1, j, xo + 2 Ax to the center  of j + 1,  and
xo - 2 Ax to the center of j-1.  The mass balance equation for segment  j  can
be written:
     — (Aj .Cj)
     3t
                 -Cj)
                                                               (C   -
.  sT
Multiplying through by
   3
   gives:
                                                                            41
     — (Vj . Cj)
     at
                                     - Cj)
                      Vj . s
                                                    42
                                      38

-------
where:

     V-   =    volume of segment j = A..  . A • , L

     R    =    dispersive flow = E.A, L3/T
                                  a
     H    =    characteristic length, L

Interface concentrations Cj j+-| and Cj_i j must be expressed in terms of  the
segment concentrations:

            =  v  • Cj+1 + (1 - v) . Cj                               43

     Cj_i,j =  V  . Cj + (1 - v) . Cj_.,                               44

where:

      v   =    numerical weighting factor between 0 and  1

Specifying v = 0 gives a backward difference approximation for the advective
term, whereas v = J_ gives a central difference approximation.
                  2"

     Equation 42 can be extended to the multi-dimensional form actually
employed by WASP.  Consider "i" segments adjoining segment j.  Interfaces are
denoted "ij."  The general equation becomes:

     9
     — (Vj . Cj) = - I Qij . CJLJ + I Rij .  (Ci - Cj)
     9t               i             i

                    + Wj + I Vj . SB  +  I Vj . SK                    45
                           B        J   k        J

where:

               flow, defined as positive when leaving segment j, and negative
               when entering j, L-^/T

     Wj   =    point and diffuse loads = VjSLj» M/T

     Equation 45 is the general expression used in WASP  to evaluate  the mass
derivatives for every segment "j" during each time step  "t" between  initial
time tQ and final time tF.  Given concentrations and volumes at t, WASP3 cal-
culates new masses at t+At using the one-step Euler scheme:

                                  d
     (Vj . Cj)t+At = (Vj . Cj)t + — (Vj . Cj)t . At                 46
                                  at
                                      39

-------
where:

      At     =    the time step, typically between 15 minutes and a half
                  day, T

Given new masses at time t + At, WASP3 finds the new concentrations by
dividing by the new volumes:

     Cj,t+At = (Vj . CjJt+At/V-^t+At                                47
The new volumes are calculated internally from the specified (or computed)
flow fields using the principle of continuity.

     During normal simulations, WASP prohibits segment concentrations from
going negative and causing numerical instability of the solution.  A negative
concentration might be calculated for constituents with low concentrations
in the vicinity of significant spatial gradients.  If a calculated mass
derivative would drive a segment concentration below zero at t+At, WASP
maintains a positive segment concentration by halving the mass present at.
time t.  Experience has shown that this procedure is generally acceptable.
The user can avoid this correction by specifying the proper value for the
negative solution option.  If negative concentrations and instability then
occur, the simulation can be rerun with a smaller time step.
1.3.5  The Model Parameters

     This section summarizes the input parameters that must be specified in
order to solve the mass balance equation.
1.3.5.1  Model Identification Parameters

     These parameters give the basic model identity.  They include the number
of water quality constituents being simulated and the number of segments in
the network.  Also included are user-specified simulation identification
numbers and titles describing the water body and the simulation.
1.3.5.2  Transport Parameters

     This broad group of parameters describes the network of segments repre-
senting the water body along with the advective and dispersive flow fields
connecting the segments.  Input parameters include segment volumes, advective
flows, dispersion coefficients, cross-sectional areas, and characteristic
lengths.  While the nominal units expected by the model are English (ft,
miles, etc.), SI or other units can be used along with proper specification
of conversion factors.

     Segment volume, million ft^—initial volumes for each segment can be
calculated from navigation charts or a series of transects measuring
depth versus width along the river.  Sometimes, volumes can be estimated

                                      40

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from travel time of a well-mixed cloud of dye through a reach.  Initial
segment volumes can be automatically adjusted for continuity during a simula-
tion by specifying IVOPT =2.  For simulations using hydrodynamic results
from DYNHYD3, volumes from the SUMRY2 file are used and continuity is main-
tained.

     Advective flow, ft3/sec — Steady or unsteady flows can be specified
between adjoining segments, as well as entering or leaving segments as inflow
or outflow.  The user must be careful to check for continuity errors, as the
model does not necessarily require that flow continuity be maintained.  For
example, the user may specify that more flow enters a segment than leaves.
If IVOPT = 2, continuity will be maintained and that segment will grow in
volume indefinitely.  If IVOPT = 1 , however, the volume will remain constant
and pollutant mass will build up in the segment indefinitely.  This corre-
sponds to the case of a significant evaporative loss, which is not modeled
explicitly.  For simulations using hydrodynamic results from DYNHYD3, flows
from the SUMRY2 file are used and flow continuity is automatically maintained.

     Dispersion coefficient, mi^/day — Dispersive mixing coefficients can be
specified between adjoining segments, or across open water boundaries.  The
nominal input units were traditional for estuary studies in the United States.
These coefficients can model pore water diffusion in benthic segments, verti-
cal diffusion in lakes, and lateral and longitudinal dispersion in large
water bodies.  Values can range from 1 0~6 cm^/sec for molecular diffusion to
5x1 0^ cm^/sec for longitudinal mixing in some estuaries (3.33 x 10~1^ to 16.7
square miles per day) .
     Cros s- sectional area , f t — Cross-sectional areas are specified for each
dispersion coefficient, reflecting the area through which mixing occurs.
These can be surface areas for vertical exchange, such as in lakes or in the
benthos.  Areas are not modified during the simulation to reflect flow changes,

     Characteristic mixing length, ft — Mixing lengths are specified for each
dispersion coefficient, reflecting the characteristic length over which
mixing occurs.  These are typically the lengths between the center points of
adjoining segments.  A single segment may have three or more mixing lengths
for segments adjoining longitudinally, laterally, and vertically.  For surfi-
cial benthic segments connecting water column segments, the depth of the
benthic layer is a more realistic mixing length than half the water depth.
1.3.5.3  Boundary Parameters

     This group of parameters includes boundary concentrations and waste
loads.

     Boundary concentration, mg/L—Steady or time-variable concentrations
must be specified for each water quality constituent at each boundary.   A
boundary is either a tributary inflow, a downstream outflow, or an open
water end of the model network across which dispersive mixing can occur.
Advective and dispersive flows across boundaries are specified by the
transport parameters.

                                      M-l

-------
     Waste load, Ib/day—Steady or time-variable loads may be specified for
each water quality constituent at several segments.  These loads represent
municipal and industrial wastewater discharges, urban and agricultural runoff,
precipitation, and atmospheric deposition of pollutants.


1.3.5.4  Transformation Parameters

     This group of parameters includes spatially variable parameters, con-
stants, and kinetic time functions for the water quality constituents being
simulated.  None are necessary for dissolved, conservative chemicals.


1.3.5.5  Initial Conditions

     This category includes only initial concentrations.

     Initial concentration, mg/L—Concentrations of each constituent in each
segment must be specified for the time at which the simulation begins.  For
those water bodies with low transport rates, the initial concentrations of
conservative substances may persist for a long period of time.  Accurate
simulation, then, would require accurate specification of initial concentra-
tions.  If initial concentrations cannot be determined accurately,  then
longer simulations should be run, and early predictions discounted.


1.3.5.6  Simulation Parameters

     This group of parameters controls the simulation and checks the stabi-
lity of the solution.  Simulation parameters include the initial and final
times, integration time steps, the advection factor, maximum and minimum
concentrations, and a negative solution option.

     Initial time, days—The time at the beginning of the simulation must be
specified in order to synchronize all the time functions.  The day, hour, and
minute can be input, or the day (including decimal fraction).

     Final time, days—The time at the end of the simulation must be speci-
fied in days (including decimal fraction).

     Integration time step, days—A sequence of integration time steps (At)
must be specified, along with the time interval over which they apply.  Given
specific network and transport parameters, time steps are constrained within
a specific range to maintain stability and minimize numerical dispersion, or
solution inaccuracies.  To maintain stability at a segment, the advected,
dispersed, and transformed mass must be less than the resident mass:

     (I Q«Cj+ I R.Cj+ I S.Vj) . At < Vj . Cj                        48

Solving for At and applying the criterion over the entire network gives
the maximum stable step size:


                                      42

-------
     Atmax - Min ( - )                        49
                  I Qij + ZRIJ + 1 sjk  . VJ/GJ
                  i       i      k

If reactions are linear, then the last  term in the denominator reduces to
K^ • v-j •  Usually At is controlled by advective or dispersive flows.

     Numerical dispersion is artificial mixing caused by the finite difference
approximation used for the derivatives.  If the advection factor v = 0, the
backward difference approximation of dc/dx is used in the advection term, and

            U . £
                                                                      50
where:

      X,   »    length of the segment

For the Euler scheme, the forward difference approximation of  3c/  3t is used,
and
     Enum
The total numerical dispersion, then, is

            U
     Enum = - • U - U . At)                                          52
            2

Note that increasing the time step up to Ax/U (or V/Q) decreases numerical
dispersion to 0.  The conditions for stability discussed above require a
time step somewhat less than v/Q for most segments.  So to maintain stability
and minimize numerical dispersion in a water body subject to unsteady flow,
the sequence of time steps must be as large as possible, but always less
than Atmax given in 49.

     Advection factor, dimensionless—The advection factor v can be specified
to modify the finite difference approximation of 3c/3x used in the advection
term by WASP.  For v =0, the backward difference approximation is used.
This is most stable, and is recommended for most applications.  For v =0.5,
the central difference approximation is used.  This is unstable in WASP, and
is not recommended.

     A nonzero advection factor is helpful in situations where the network
size and time step produce large numerical dispersion.  A nonzero advection
factor reduces the numerical dispersion produced by a particular velocity,
length, and time step combination.  According to Bella and Grenney (1970):

-------
            u
     Enum = ~ • td-2 . v) . £ - u . At]                             53
            2
Note that a v of 0 reduces this to equation 52.   Values of Enun, for a length
of 2000 meters and various combinations of velocity and time step are provided
in Table 2.  For a particular velocity, say 0.4  m/sec,  numerical dispersion
can be reduced by increasing the time step.  For v =0,  increasing the time
step from 1000 to 4000 seconds decreases E    from 320  to 80 m/sec.  if the
time step must be 1000 seconds, however, numerical dispersion can still be
reduced by increasing v.  in this case, increasing v from 0 to 0.4 decreases
Enum from 32° to °

     Maximum and minimum concentrations, mg/L — Maximum and minimum concentra-
tions must be specified for each water quality constituent.  The simulation
is automatically aborted if a calculated concentration falls outside these
limits.  This usually indicates computational instability, and the time step
must usually be reduced.  Minimum concentrations are usually set to 0, and
maximum concentrations to physically unrealistic values.

     Negative solution option — Normally, concentrations are not allowed to
become negative.  If a predicted concentration at t+ At is negative, WASP
maintains its positive value by instead halving the concentration at time t.
The negative solution option lets the user bypass this procedure, allowing
negative concentrations.  This may be desirable for simulating dissolved
oxygen deficit in the benthos, for example.
1.3.6  Application of the Model

     The first step in applying the model is analyzing the problem to be
solved.  What questions are being asked?  How can a simulation model be used
to address these questions?  A water quality model can do three basic tatsks—
describe present water quality conditions, provide generic predictions, eind
provide site-specific predictions.  The first, descriptive task is to extend
in some way a limited site-specific data base.  Because monitoring is expen-
sive, data seldom give the spatial and temporal resolution needed to fully
characterize a water body.  A simulation model can be used to interpolate
between observed data, locating, for example, the dissolved oxygen sag point
in a river or the maximum salinity intrusion in an estuary.  Of course such a
model can be used to guide future monitoring efforts.  Descriptive models
also can be used to infer the important processes controlling present water
quality.  This information can be used to guide not only monitoring efforts,
but also model development efforts.

     Providing generic predictions is a second type of modeling task.  Site-
specific data may not be needed if the goal is to predict the types of water
bodies at risk from a new chemical.  A crude set of data may be adequate to
screen a list of chemicals for potential risk to a particular water body.
Generic predictions may sufficiently address the management problem to be
solved, or they may be a preliminary step in detailed site-specific analyses.

-------
             TABLE 2.  VALUES OP NUMERICAL DISPERSION IN m2/sec

V

0.0
0.1
0.2
0.3
0.4

0.0
0.1
0.2
0.3
0.4

0.0
0.1
0.2
0.3
0.4

0.0
0.1
0.2
0.3

0.1

95
75
55
35
15

90
70
50
30
10

80
60
40
20
0

60
40
20
0

0.2

180
140
100
60
20

160
120
80
40
0

120
80
40
0
—

40
0
—
—
U (m/sec)
0.4 0.6
At = 1000 sec
320 420
240 300
160 180
80 60
0
At = 2000 sec
240 240
160 120
80 0
0
— "• — —
At = 4000 sec
80
0
—
—
__ __
At = 8000 sec
—
__ 	
—
— —

0.8 1.0

480 500
320 300
160 100
0
__. ,- _

160 0
0
—
—
— — — —

_• « _
—
—
__ —
— — —

—
__ 	
—
— —
0.4

-------
     Providing site-specific predictions is the most stringent modeling task.
Calibration to a good set of monitoring data is definitely needed to provide
credible predictions.  Because predictions often attempt to extrapolate
beyond the present data base, however, the model also must have sufficient
process integrity.  Examples of this type of application include waste load
allocation to protect water quality standards and feasibility analysis for
remedial actions, such as tertiary treatment, phosphate bans, or agricultural
best-management practices.

     Analysis of the problem should dictate the spatial and temporal scales
for the modeling analysis.  Division of the water body into appropriately
sized segments was discussed in Section 1.3.3.  The user must try to extend
the network upstream and downstream beyond the influence of the waste loads
being studied.  If this is not possible, the user should extend the network
far enough so that errors in specifying future boundary concentrations do
not propogate into the reaches being studied.

     The user also should consider aligning the network so that sampling
stations and points of interest (such as water withdrawals) fall near the
center of a segment.  Point source waste loads in streams and rivers with
unidirectional flow should be located near the upper end of a segment.  In
estuaries and other water bodies with oscillating flow, waste loads are best
centered within segments.  If flows are to be input from DYNHYD3, then a
WASP3 segment must coincide with each hydrodynamic junction.  Benthic seg-
ments, which are not present in the hydrodynamic network, may nevertheless
be included in the WASP3 network.  Furthermore, WASP segment numbering does
not have to be the same as DYNHYD3 junction numbering.  General segment num-
bering is arbitrary, except in TOXIWASP, where segments stacked vertically
must be numbered consecutively from surface water down.

     Once the network is set up, the model study will proceed through four
general steps involving, in some manner, hydrodynamics, mass transport, water
quality transformations, and environmental toxicology.  The first step ad-
dresses the question of where the water goes.  This can be answered by a
combination of gaging, special studies, and hydrodynamic modeling.  Plow data
can be interpolated or extrapolated using the principle of continuity,  very
simple flow routing models can be used; very complicated multi-dimensional
hydrodynamic models can also be used with proper averaging over time and
space.  At present, the most compatible hydrodynamic model is DYNHYD3.

     The third step answers the question of how the material in the water and
sediment is transformed and what is its fate.  This is the main focus of many
studies.  Answers depend on a combination of laboratory studies, field moni-
toring, parameter estimation, calibration, and testing.  The net result is
sometimes called model validation or verification, which are elusive concepts,
The success of this step depends on the skill of the user, who must combine
specialized knowledge with common sense and skepticism into a methodical
process.

     The final step answers the question of how this material is likely to
affect anything of interest, such as people, fish, or the ecological balance.

-------
Often, predicted concentrations are simply compared with water quality cri-
teria adopted to protect the general aquatic community.  Care must be taken
to insure that the temporal and spatial scales assumed in developing the
criteria are compatible with those predicted by the model.  Sometimes princi-
ples of physical chemistry or pharmacokinetics are used to predict chemical
body burdens and resulting biological effects.  This field holds promise, but
is still in its infancy.
1 .4  THE EUTROPHICATION MODEL

     The eutrophication model, EUTRWASP, is a simplified version of the
Potomac Eutrophication Model, PEM (Thomann and Pitzpatrick, 1982).  The
following text is taken from the PEM documentation report, with little
modification.
1.4.1  Overview of EUTRWASP

     Several physical-chemical processes can affect the transport and inter-
action among the nutrients, phytoplankton, carbonaceous material, and dis-
solved oxygen in the aquatic environment.  Figure 21 presents the principal
kinetic interactions for the nutrient cycles and dissolved oxygen.  Consider
phosphorus:  dissolved or available phosphorus is utilized by phytoplankton
for growth and interacts with particulate inorganic phosphorus via a sorp-
tion-desorption mechanism.  Phosphorus is returned from the phytoplankton
biomass pool to dissolved and particulate organic phosphorus and to dissolved
inorganic phosphorus through endogenous respiration and non-predatory morta-
lity.  Organic phosphorus is converted to dissolved inorganic phosphorus at a
temperature-dependent rate.

     The kinetics of the nitrogen species are fundamentally the same as the
phosphorus system.  Ammonia and nitrate are used by phytoplankton for growth.
The rate at which each is taken up is proportional to its concentration rela-
tive to the total inorganic nitrogen (ammonia plus nitrate) available.  Nitro-
gen is returned from the algal biomass and follows pathways that are similar
to phosphorus.  Organic nitrogen is converted to ammonia at a temperature
dependent rate, and ammonia is then converted to nitrate (nitrification) at
a temperature- and oxygen-dependent rate.  Nitrate may be converted to nitrogen
gas (denitrification) in the absence of oxygen and at a temperature-dependent
rate.

     Dissolved oxygen is coupled to the other state variables.  The sources
of oxygen considered are reaeration, evolution by phytoplankton during growth,
and evolution during denitrification.  The sinks of oxygen are algal respira-
tion, oxidation of detrital carbon and carbonaceous material from waste
effluents and nonpoint discharges, and nitrification.

     EUTRWASP simulates the transport and transformation reactions of eight
state variables, illustrated in Figure 22.  They can be considered as four
interacting systems:  phytoplankton kinetics, the phosphorus cycle, the

                                     47

-------
  TOTAL INORGANIC
    PHOSPHORUS
    DISSOLVED
    INORG. PHOS.
 ADSORP.
DESORP.
    PARTICIPATE
    INORG. PHOS.
                        (a) PHOSPHORUS SPECIES
                         PHYTOPLANKTON
                                      NON-LIVING
                                       DISSOLVED
                                       ORG. PHOS.
  TOTAL
 ORGANIC
PHOSPHORUS
                                      NON-LIVING
                                      PARTICULATE
                                       ORG. PHOS.
                        (b) NITROGEN SPECIES
                        (c) DISSOLVED OXYGEN
  AMMONIA
  NITROGEN
                       CARBONACEOUS
                      OXYGEN DEMAND
                                                   DEEP
                                                   SEDIMENT
                                                   OXYGEN
                                                   DEMAND
Figure  21.   EUTRWASP state  variable interactions.

-------
     (7\
sediment )
Atmosph
                                       phereN
                                          )
                          Nonlinear Rates
                Figure  22.  EUTRWASP state variable interactions.
nitrogen cycles and  the dissolved oxygen balance.   The general WASPS mass
balance equation is  solved for each state variable:

      A (Vj  .  Cj)
     	 =  I  l-Qij  • cij + Rij • 
-------
where:
     CJ   =    concentration of the water quality constituent in segment
               j, M/L3

     t    =    time, T

     Q^J  =    advective flow between segments i and j ,  defined as
               positive when leaving s-egment j, and negative when
               entering,
     C. •   =    constituent concentration advected between i and j ,

          =    v . Cj + (1  - v) . Cj_ when entering j

          =    V . Cj_ + (1  - v) . Cj when leaving j

      v   =    numerical weighting factor, 0-0.5

     R. .   =    dispersive flow between segments i and j, L /T
                                                                 ry
     Eii  =    dispersion coefficient between segments i and j, L /T

     Aii  =    cross-sectional area between segments i and j ,  L

     £ji  =    characteristic mixing length between segments i and j, L

     WLJ  =    point and diffuse loads into segment j , M/T

     WB1  =    boundary loads into segment j , M/T
                                                            o
     S,, •  =    kinetic transformations within segment j, M/L /T
      K3
To this general equation, the EUTRWASP subroutines add specific transport
processes, including settling, deposition, scour, sedimentation, and benthic-
water column dispersive exchange.  The net effect is to customize equation
54 for the eight state variables in the water column and benthos.  The rest
of Section 1 .4 covers the specific details for the several transformation
sources and sinks
1.4.2  Phytoplankton Kinetics

     Phytoplankton kinetics assume a central role in eutrophication,
affecting all other systems.  An overview of this system is given in Figure
23.
                                     50

-------
1



i s
PHYT
4


                                         P0
                   C4: Phytoplankton Carbon
                             /I       \
                         growth   death  settling
                   'Figure 23.  Phytoplankton kinetics.
     It is convenient to express the reaction  term of phytoplankton, Sij, as a
difference between the growth rate, G-JJ,  of phytoplankton and  their death rate,
  j, in the volume Vj.  That is:

                     .Pi                                         55
where:

     S-]j = reaction term,  cells/A.day

     PJ  = phytoplankton population, cells/A

     G.J.! = growth rate,  day"

     D.j. - death rate, day"

     j   = segment number, unitless
                                   51

-------
The subscript 1 identifies the quantities as referring to phytoplankton type
1, (only one type is considered in this particular model);  the  subscript j
refers to the volume element being considered.   The balance between the
magnitude of the growth rate and death rate (together with the  transport
and mixing) determines the rate at which phytoplankton mass is  created in
the volume element Vj.

     As pointed out by Di Toro and Matystik (1980), the growth  rate of a
population of phytoplankton in a natural environment is a complicated func-
tion of the species of phytoplankton present and their differing reactions  to
solar radiation, temperature, and the balance between nutrient  availability
and phytoplankton requirements.  The complex and often conflicting data
pertinent to this problem have been reviewed by several researchers (Rhee
,1973; Hutchinson, 1967;  Strickland, 1965;  Lund, 1965;  and Raymont, 1963).
The available information is not sufficiently detailed to specify the growth
kinetics for individual algal species in a natural environment.  Hence, in
order to accomplish the task of constructing a  growth function, a simplified
approach is followed.  Rather than considering  the problem of different
species and their associated environmental and  nutrient requirements, this
model characterizes the population as a whole by the total biomass of the
phytoplankton present.

     For single species,  the direct measure of  the population size is the
number of cells per unit of volume.  For studies of a single species in a
well-controlled laboratory environment these cell counts may be obtained
fairly readily.  In naturally occurring populations, however, this measure
may be somewhat ambiguous:  it is difficult to  discern viable and non-viable
cells, and species that tend to colonize pose a problem because the count
usually does not distinguish individual cells and because the sizes of the
colonies are quite variable.

     The sum of the numbers of each species, the total count, is a possibi-
lity but because cell size varies substantially the nanoplankton would domi-
nate such an aggregation.  To account for this, the total bio-volume or wet
weight of phytoplankton,  assuming unit density, can be calculated using
characteristic volumes for each identified species.  Unfortunately, volumes
can vary appreciably as a function of nutrient  status.  Conversion to phyto-
plankton dry weight and carbon involves further species-dependent constants
that are also nutrient dependent and, therefore, are subject to variation and
uncertainty.  Thus, although the use of phytoplankton dry weight or carbon
concentration is an appealing solution to the issue of aggregation, it suf-
fers from some practical difficulties.

     An alternate solution is to measure a parameter that is characteristic
of all phytoplankton, namely, chlorophyll-a, and to use this as the aggre-
gated variable.  The principal advantages are that the measurement is direct;
it integrates cell types and ages, and it accounts for cell viability.  The
principal disadvantage is that it is a community measurement with no differ-
entiation of functional groups (e.g., diatoms,  blue-greens); also, it is not
necessarily a good measurement of standing crop in dry weight or carbon units
because the chlorophyll-to-dry-weight and carbon ratios are variable and
non-active chlorophyll (phaeopigments) must be  measured to determine viable

                                     52

-------
chlorophyll concentrations.

     As can be seen from the above discussion, no simple aggregate measure-
ment is entirely satisfactory.  From a practical point of view, the availabi-
lity of extensive chlorophyll data essentially dictates its use as the
aggregate measure of the phytoplankton population or biomass for calibration
and verification purposes.  For internal computational purposes, however,
EUTRO3 uses phytoplankton carbon as a measure of algal biomass.  The reason
for choosing phytoplankton carbon as the internal state variable reflects
the decision to include a mechanism in the modeling framework that attempts
to recognize the variable carbon to chlorophyll stoichiometry that occurs
in the water body for a given temperature and light condition.  If one had
decided to use a fixed carbon-to-chlorophyll ratio and to use chlorophyll-a
as a biomass measure it would be relatively simple to determine the equiv-
alent algal carbon deposited in the sediment due to settling and to deter-
mine its equivalent sediment oxygen demand (SOD).  The same could not be
done if chlorophyll-a were still to be used as a biomass measure and if the
carbon-to-chlorophyll ratio in the overlying water column was permitted to
vary.  One would not be able to determine the equivalent detriT^l carbon
content of the sediment (and therefore the equivalent SOD) because the variable
carbon-to-chlorophyll ratio determined for the overlying water column would
not be valid for the sediment layer.  Instead a dual approach is taken:
(1) as stated previously, phytoplankton carbon is used as the internal
state variable, which facilitates the computation of the sediment carbon
and sediment oxygen demand; (2) using the variable carbon to chlorophyll
mechanism (discussed subsequently), phytoplankton chlorophyll-a may be
computed and used as the calibration and verification variable to be com-
pared against observed chlorophyll-a field data.

     With a choice of biomass units established, a growth rate that
expresses the rate of production of biomass as a function of the important
environmental variables (temperature, light, and nutrients) may be developed.
The specific growth rate, G^j, in segment j is related to G-|max, the maximum
growth rate at optimum light, temperature, and nutrients, via the following
equation.
                                                                    56

          temperature    light     nutrients

where:

     G(I) = the light attenuation as a function of I, f, H, and Ke:

          G(I) = g(I,f,H,Ke)                                        57

     G(N) = the nutrient limitation as a function of DIP and DIN:

          G(N) = g(DIP,DIN)                                         58
                                     53

-------
where:

     T  =  ambient water temperature, °c

     I  =  incident solar radiation, Ly/day

     f  =  fraction of daylight, unitless

     H  =  depth of the water column, ft

     Ke =  extinction or light attenuation coefficient, ft"1

DIP,DIN =  available nutrients for growth, dissolved inorganic phosphorus
           (orthophosphate) and dissolved inorganic nitrogen (ammonia
           plus nitrate), mg/1

     An initial estimate of Gimax can be made based upon previous studies of
phytoplankton dynamics and upon reported literature values (such as Zison
et aim, 1978) and subsequently refined during the calibration and verification
process.  The selected maximum growth rate must then be temperature-corrected
using temporally- and spatially-variable water column temperatures as
reported in field studies.  The temperature-corrected growth rate is com-
puted using:

     G1max(T> =G1max(20°C> • 91(

where:

     9-) = temperature coefficient, unitless

Di Toro and Matystik (1980) report a value of 1.068 for 9-) .   This temperature-
corrected growth rate is then adjusted to reflect attenuation due to ambient
light and nutrient levels.

     In the natural environment, the light intensity to which the phytoplankton
are exposed is not uniformly at the optimum value.  At the surface and near-
surface of the air-water interface, photoinhibition can occur at high light
intensities,  whereas at depths below the euphotic zone light is not available
for photosynthesis due to natural and algal-related turbidity.  A modeling
framework developed by Smith (1980), extending upon a light curve analysis
formulated by Steele (1962), accounts for both the effects of supersaturating
light intensities and light attenuation through the water column.  The depth-
averaged growth rate developed by Smith is presented in Equation 60 and is
obtained by integrating the specific growth rate over depth:
            G1max(T) * 	 [exp(	e  e  )  - exp(	)]          (60)

-------
where:
      s
           1max
             max
                                                                    (61)
         the total water column depth, ft
where:

     H

     *max =   t*16 quantum yield, mg carbon fixed per mole of light quanta
              absorbed

     Ke   =   the total extinction coefficient, computed from the sum of the
              non-algal light attenuation, Ke, and the self-shading
              attenuation due to ambient phytoplankton population, ft"1
                                                                   o
     K    =   the extinction coefficient per unit of chlorophyll, m /mg
              chlorophyll-a

     I0   =   the incident light intensity at the surface, ly/day

     9    =   the ratio of carbon to chlorophyll in the phytoplankton, (mg
              carbon/ mg chlorophyll-a)

     e    =   the natural logarithm, 2.71828

     As Smith (1980) points out, since the early experiments of Warburg and
Negelein (1923), maximum photosynthetic quantum yield (*max) has been
measured for a wide range of conditions (reviewed by Kok, 1960), and a
nearly temperature-independent value of 0.08 to 0.1  mole 02 per mole of
photons absorbed is now widely accepted for photosynthesizing plants in
general in the laboratory.  Bannister (1974a) gives good arguments for
adopting 0.06 mole carbon (0.07 mole 02) per mole of photons as the maximum
yield for plankton in nature.  Reported values for Kc generally fall in the
range 0.01  to 0.02 m^mg"1 , and 0.016 m^ng"1 has been suggested as the
approximate average (Bannister, 1974b).

     Equation 60 is an instantaneous rate and is numerically integrated
over the day within the computer program to obtain daily growth, i.e.,
             1
          _
          G1T(t)dt
                                                                    62
     Equation 60 is quite similar to that formulated by Di Toro et al.
(1971),
_
G1T =
                                                     -I
                                                                    63
                                     55

-------
except that the term Is, the temperature-dependent light saturation parameter
which is unknown and must be determined via the calibration-verification
process, is replaced with a term involving the ratio of $max and G-|max,
The advantage of doing this is that both parameters, $max and G-|max, are
particularly well documented in the literature.

     A second feature incorporated in the modeling framework derived from
Smith's work is the calculation of a variable carbon to chlorophyll ratio
based on the assumption that adaptive changes in carbon to chlorophyll occur
so as to maximize the specific growth rate for ambient conditions of light
and temperature.  The expression used to calculate the carbon to chlorophyll
ratio is presented in Equation 64:
                              e)                                  64

where:

     Ia = the average daily solar radiation,  Ly/day.

A review of reported carbon/chlorophyll ratios in nature (Eppley and Sloane,
1966) suggests that physiological factors (in part the energy cost of syn-
thesizing chlorophyll as compared with other cellular compounds) come into
play to prevent 9 from going much below 20,  even in very low light.  This
lower limit of 20 has been included when determining a value for 0.  Pre-
viously reported values of 9 from algal composition studies conducted by EPA
Region Ill's Central Regional Laboratory (CRL) are compared in Table 3 to
calculated values of 9 using Equation 64.  There is general agreement between
the measured and calculated values.  Unfortunately, there are no winter algae
composition studies available for comparison purposes.


                  TABLE 3.  CARBON TO CHLOROPHYLL-A RATIO

                                         Carbon/ Chlorophyll-a
                                           pg C/yg Chlor-a
Sampling
Period
July 20-Oct.
August 1-29,
Sept. 7-28,
Sept. 7-28,

6, 19701
19772
19782
19783
Observed
Mean
45
28
21

Observed
Range
25-68
12-37
15-27
26-30
Predicted
Range
24-28
23-26
26-30

     1.  Elemental analysis of blue-green algae
     2.  Laboratory elemental analysis of overall phytoplankton population
     3.  Estimates of cell composition based upon field data
                                     56

-------
     The effects of various nutrient concentrations on the growth of phyto-
plankton have been investigated and the results are quite complex.  As a
first approximation to the effect of nutrient concentration on the growth
rate, it is assumed that the phytoplankton population in question follows
Monod growth kinetics with respect to the important nutrients.  That is, at
an adequate level of substrate concentration, the growth rate proceeds at
the saturated rate for the ambient temperature and light conditions present.
At low substrate concentration, however, the growth rate becomes linearly
proportional to substrate concentration.  Thus, for a nutrient with concen-
tration N- in the j th segment, the factor by which the saturated growth rate
is reduced in the j   segment is:  N-/(Km + N • ) .  The constant, Km (called
the Michaelis or ha If -saturation constant) is the nutrient concentration at
which the growth rate is half the saturated growth rate.  Because there are
two nutrients, nitrogen and phosphorus, considered in this framework, the
Michaelis-Menton expression is evaluated for both nutrients and the minimum
value is chosen to reduce the saturated growth rate,

                    DIN         DIP
     G(N) = Min (   -  •   , - )                             65
                 KmN + DIN   Kmp + DIP

     Figure 24 presents plots of G(N) versus DIN and DIP with K^ = 25 pg-N/L
and l^p = 1 yg-P/L, respectively.  The upper plot shows the standard
Michaelis-Menton response curve to various concentrations of the inorganic
nutrients.  As can be seen, no significant reduction in growth rate is
achieved until DIN is less than 200 ug/1 (0.2 mg/1) or until DIP is less
than 8 Mg/1 (0.008 mg/1).
     The lower plot on Figure 24 uses an expanded nutrient scale and shows
the Michaelis-Menton formulation in a slightly different format.  Here the
impact of the function may be evaluated quite readily.  For example, a
particular reach of the water body may have concentrations of DIN equal to
100 )ig/l.  This corresponds to a 20% reduction in the growth rate (G(N) =
0.8).  In order for phosphorus to become the limiting nutrient in the same
reach, dissolved inorganic phosphorus must reach a level of 4 i-ig/1 or less.
It should also be noted that if upstream nitrogen controls were instituted
such that DIN was reduced to 60 ug/1 for that same reach, then a further
reduction in DIP to 2.5 pg/1 would be required to keep phosphorus as the
limiting nutrient.  In other words, as water column concentrations of DIP
begin to approach growth limiting levels due to continued reduction in point
source phosphorus effluents, any nitrogen control strategies that might be
instituted would require additional levels of phosphorus removal in order to
keep phosphorus as the limiting nutrient.

     Numerous mechanisms have been proposed that contribute to the death rate
of phytoplankton:  endogenous respiration, grazing by herbivorous zooplankton,
sinking or settling from the water column and parasitization.  The first three
mechanisms have been included in previous models for phytoplankton dynamics,
and they have been shown to be of general importance,  if a large component of
the algal biomass is comprised of blue-green algae that are not consumed upon
by zooplankton, the zooplankton system may not need to be incorporated in the
modeling framework.

                                     57

-------
DIN
DIP
0
0
      10.0
 a.
 H
 O
      2.5 -
     200         400         60O         8OO
      8           16          24          32
NUTRIENT CONCENTRATION  (/xq/l)
                              NITROGEN
                              LIMITATION
                                         PHOSPHORUS
                                         LIMITATION
                                                     240
                         DIN
  Figure  24.   Effects  of nutrient limitation on growth rate.
                            58

-------
     The endogenous respiration rate of phytoplankton is the rate at which
the phytoplankton oxidize their organic carbon to carbon dioxide per unit
weight of phytoplankton organic carbon.  Respiration is the reverse of the
photosynthesis process and, as such, contributes to the death rate of the
phytoplankton population.  If the respiration rate of the phytoplankton as
a whole is greater than the growth rate, there is a net loss of phytoplankton
carbon or biomass.  The endogenous respiration rate is temperature dependent
(Riley, 1949) and is determined via Bjuation 66:

     k1R(T) = k1R(20°C) . 61RT~2°                                   66

where:

     k1R(20°C) = the endogenous respiration rate at 20°C, day"1

     k1R(T)    = the temperature corrected rate, day"

Reported values of endogenous respiration at 20°C vary from 0.02 day"1 to
0.60 day"1, with most values falling between 0.05 day"1 and 0.20 day"1
(Bowie et al. , 1985).  Di Toro and Matystik (1980) report a value of 1.045
for
     The settling of phytoplankton is an important contribution to the over-
all mortality of the phytoplankton population, particularly in lakes and
coastal oceanic waters.  Published values of the settling velocity of phyto-
plankton, mostly under quiescent laboratory conditions, range from 0.23-
60 ft/ day.  In some instances, however, the settling velocity is zero or
negative.  Actual settling in natural waters is complex phenomenon, affected
by vertical turbulence, density gradients, and the physiological state of the
different species of phytoplankton.  Although the effective settling rate of
phytoplankton is greatly reduced in a relatively shallow well mixed river or
estuary due to vertical turbulence, it still can contribute to the overall
mortality of the algal population.  In addition, the settling phytoplankton
can be a significant source of nutrients to the sediments and can play an
important role in the sediment oxygen demand.  For these reasons, a term
representing phytoplankton settling has been included in the algal mortality
expression, and is determined by:

            Vs1
     ks1j = -                                                     67
            HJ

where:

     ks1i = the effective algal settling or loss rate, day~1

     vsi   = the net settling velocity of phytoplankton from the water column
            to the sediment, ft/day

     H.    = depth of the j th segment, ft
                                     59

-------
     The total death rate for the phytoplankton in the jth segment is
expressed via Bjuation 68:
                  + ks1j + k1D                                      68

where:

     D1 .  = death rate, day"1

     k-|D = a non-predatory death rate, representing the effect of parasLti-
           zation, i.e., the infection of algal cells by other microorganisms,
           and toxic materials, such as chlorine residual, day"1

     This completes the specification of the growth and death rates of the
phytoplankton population in terms of the physical variables:  light, tempera-
ture, and the nutrient concentrations present.  (Table 4 summarizes these
equations.)  With these variables known as a function of time, it is possible
to calculate the phytoplankton chlorophyll throughout the year.  The nutrients
are not known a priori, however, because they depend upon the phytoplankton
population that develops.  That is, these systems are interdependent and
cannot be analyzed separately,  it is necessary to formulate a mass balance
for the nutrients as well as the phytoplankton in order to calculate the
chlorophyll that would develop for a given set of environmental conditions.
1.4.3  Stoichiometry and Uptake Kinetics

     A principal component in the mass-balance equations written for the
nutrient systems included in the eutrophication framework is the nutrient
uptake kinetics associated with algal growth.  To specify the nutrient
uptake kinetics associated with this growth, however, it is necessary to
specify the population Stoichiometry in units of nutrient uptake/mass of
population synthesized.  For carbon as the unit of population biomass, the
relevant ratios are the mass of nitrogen and phosphorus per unit mass of
carbon.  A selection of these ratios presented (Di Toro  et al., 1971)
indicates that their variability is quite large.  The use of constant
ratios in the analysis, then, is questionable.

     Upon further investigation, however, it is clear that the reason
these ratios vary is the varying cellular content of nutrients, which is,
in turn, a function of the external nutrient concentrations and the past
history of the algal population.  Large ratios of carbon to nitrogen or
phosphorus correspond to that nutrient limiting growth; small ratios re-
flect excess nutrients.  Thus, the choice of the relevant ratios can be
made with the specific situation in mind.

     The operational consequence of this choice is that the population
Stoichiometry under non-limiting conditions may be underestimated, but
under limiting conditions should be estimated correctly.  Hence the trade-
off is a probable lack of realism during a portion of the year versus a
correct estimate of algal biomass during periods of possible nutrient
limitations.  Because this is usually the critical period and because

                                      60

-------
                 TABLE 4.  PHYTOPLANKTON NET GROWTH EQUATION
     S1 .  - G1max  • G(I)  • G(N> * k1R81RT"2° - ~- - k1D
       3                                           H

Temperature Correction

     G1max -

Light Reduction
                     -a     -a
                   (e  1 - e  °)dt
            Ke'H o
               *max KG *<><*>                *m
                                              ax
                                            G1max(T)9  . e
     0    = Carbon/Chlorophyll Ratio
                                       *max  • KG  •
                                         G1max
-------
          TABLE 4.  PHYTOPLANKTON NET GROWTH EQUATION (Continued)
                            Exogenous Variables

Description                                Notation

Extinction Coefficient                     Kg

Segment Depth                             , H or d (in Figures)

Instantaneous Surface Solar Radiation      Io

Average Daily Surface Solar Radiation      Ia

Temperature                                T

Time                                       t
                               Rate Constants
Description

Maximum Specific Growth Rate @
  20°C

Temperature Coefficient

Maximum Photosynthetic Quantum
  Yield

Phytoplankton Self-Light
  Attenuation

HaIf-Saturation Constant for
  Nitrogen

HaIf-Saturation Constant for
  Phosphorus

Algal Endogenous Respiration

Temperature Coefficient

Algal Settling Rate

Non-Predatory Death
                                    Notation
                                     1max
                                    *m
                                      ax
Value Used
  in the
Potomac
River Study

2.0
1 .068

720.0


0.017
Units
                                                               day
                                                                  ~1
                                                               none
   mg C
                                                               mole photon

                                                               m2/mg Chi 'a1
^mN
^mP
k1R
SIR
VS1
k
25.0
1.0
0.125
1.045
0.3
0.02
yg N/I
yg P/1
day'1
none
ft/day
day'1
                                     62

-------
most questions to be answered are usually sensitive to maximum summer
populations, this choice is a practical expedient.  A comparison of carbon-
to-nitrogen and carbon-to-phosphorus ratios measured in the Potomac Estuary
is provided in Table 5.
         TABLE 5.  PHOSPHORUS-TO-CARBON AND NITROGEN-TO-CARBON RATIOS
                            Phosphorus/Carbon
                                mg P/mg C
Ni trogen/Ca rbon
   mg N/mg C
Sampling
Period
July 20-Oct.
August 1-29,
Sept. 7-28, 1
Sept. 7-28, 1
Model

6, 1970"!
19772
9782
9783

Observed Observed
Mean Range
0.023 0.010-0.046
0.024 0.012-0.028
0.030 0.017-0.047
0.031
0.025
Observed
Mean
0.26
0.24
0.26
0.26
0.25
Observed
Range
0.10-0.48
0.15-0.36
0.18-0.35


     1. Elemental analysis of blue-green algae
     2. Laboratory elemental analysis of overall phytoplankton population
     3. Estimates of cell composition based upon field data
     Once the stoichiometric ratios have been determined, the mass balance
equations may be written for the nutrients in much the same way as is done
for the phytoplankton biomass.  The primary interaction between the nutrient
systems and the phytoplankton system is the reduction or sink of nutrients
associated with phytoplankton growth.  A secondary interaction occurs
wherein the phytoplankton system acts as a source of nutrients due to
release of stored cellular nitrogen and phosphorus during algal respiration
and death.
1.4.4  The Phosphorus Cycle

     Three phosphorus state variables are modeled:  phytoplankton phosphorus,
organic phosphorus, and inorganic (orthophosphate) phosphorus.   A summary
is illustrated in Figure 25.  Organic phosphorus is divided into particulate
and dissolved concentrations by a user-specified fraction.  Inorganic phos-
phorus also is divided into particulate and dissolved concentrations by
spatially variable fractions, reflecting sorption.  Table 6 presents the
reaction rate terms used in the Potomac study.  A fraction of the phosphorus

                                     63

-------
             4. PHYTOPLANKTON PHOSPHORUS
                                  SVPI
         growth death settling

8.  ORGANIC PHOSPHORUS
                       T-20
                                                   SVPP-fSOP
               — =-t-DPI • C4-aPC-K83583  • XPRC • CQ      ^     -CQ

                       death       mineralization       settling
             3.  ORTHOPHOSPHATE PHOSPHORUS
              at
                 = +l
                        1"20
                X
                              PRC
-SPI.C,.aPC-SVPP:f^'.C.
                     mineralization
                           growth
                  d
                settling
                      C4
              PRC
                               Phytoplankton affects mineralization
             Figure  25.  Phosphorus cycle
released during phytoplankton respiration and death is in the inorganic
form and readily available  for uptake by other viable algal  cells.   In-work
on the Great Lakes  this  fraction was assigned at 50% (Di  Toro and Matysnik,
1980).

     The remaining  fraction released is in *h>- orqanio form  and must undergo
a mineralization or bacterial decomposition into inorganic phosphorus before
utilization by phytoplankton.  In thei r work  on Lake Huron and Saginaw Hay,
Di Toro and Matystik  (1980) proposed a nuttifnt ''--eeycle formulation  that was
a function of the localized phytopl ank ton pupu] ,1 tri on.  Drawing from  an analy-
sis of available field data and -in.no fh= work of  others (Hendry, 1977;

-------
                    TABLE 6.  PHOSPHORUS REACTION TERMS
Description
Notation  Value
  at 20°C

Temperature coefficient

Particulate organic phosphorus mineralization
  rate at 20°C

Temperature coefficient

Fraction of dead and respired phytoplankton
  recycled ...
  653     1.08
                                                          1.08
     *  G1i = G1max
-------
     First order recycle:    k(T) = k1(200C)9T~20                   69

     Second order recycle:   k(T) = k1(20°C)9T~20 . P               70
                                                     c

                                                       PC

                                                    KmPc
                                                  -c
Saturating recycle:      k(T)  = k1(20°C)9T-20 .  	        71
Saturating recycle permits second order dependency at low phytoplankton
concentrations, when Pc « Kmpc, where Kmpc is the half-saturation constant
for recycle, and permits first order recycle when the phytoplankton greatly
exceed the haIf-saturation constant.  Basically this mechanism slows the
recycle rate if the algal population is small but does not permit the rate
to increase continuously as phytoplankton increase.  The assumption is that
at higher population levels other factors are rate limiting the recycle
kinetics so that it proceeds at its maximum first order rate.

     There is an adsorption-desorption interaction between dissolved in-
organic phosphorus, and suspended particulate matter in the water column.
The subsequent settling of the suspended solids together with the sorbed
inorganic phosphorus can act as a significant loss mechanism in the water
column and is a source of phosphorus to the sediment.  Because sufficient
suspended solids data were not available to provide for a calibration and
verification analysis of suspended solids as a state variable, an alternate
formulation to the adsorption-desorption kinetics was required.  This alter-
nate formulation takes advantage of the fact that the rates of reaction for
adsorption-desorption are in the order of minutes versus reaction rates in
the order of days for the algal and biological kinetics, and so permits an
"instantaneous equilibrium" assumption to be made.  Instantaneous equili-
brium implies that the dissolved and particulate phosphorus phases "instan-
taneously" react to any discharge sources of phosphorus or runoff or shore-
line erosion of solids so as to redistribute the phosphorus to its "equili-
brium" dissolved and solids phase concentrations.

     Consider Cpjp to be the concentration of dissolved inorganic phosphorus
in the water column.  It interacts with the particulate concentration, Cpjp.
The interaction may be an adsorption-desorption process with the solids or an
assimilation-depuration process with the phytoplankton.  If the total sus-
pended solids (inorganic solids plus phytoplankton solids) is considered, the
particulate concentration can be defined as:

     CPIP " CPIP • S                                                72

where:

     CpTp  =    concentration of phosphorus sorbed to suspended solids,
                mgP/Kg SS

     S       =  concentration of suspended solids, Kg/L

The total inorganic phosphorus is then the sum of dissolved inorganic and the
particulate inorganic phosphorus

                                     66

-------
            CDIP + CPIP                                             73

     The underlying assumption that is made, as mentioned previously, is
"instantaneous equilibrium" between the adsorption-desorption process.  The
equilibrium between the dissolved inorganic phosphorus in the water column
and the mass concentration of inorganic phosphorus of the solids is usually
expressed in terms of a partition coefficient:
             i
            CPIP
     Kplp = -                                                    74
            CDIP

where:

     Kplp = partition coefficient for particulate phosphorus, mgP/Kg S
            per (rag P/L) or (L/Kg S)

     cplp = KPIP . s . CDJ-J,                                         75


     Equation 75 is the linear portion of the Langmuir isotherm.  Although
not always representative of actual conditions, it is a reasonable approxima
tion when (mgPsorbed/KgS) per (mgP(jissoived/L) or (L/K9S) is much less than
the ultimate adsorbing capacity of the solids.  Combining Equations 73 and
75 , the total concentration may be expressed as
          = CDIP + KPIP  * s * ^IP                                  76

The dissolved and particulate fractions may be expressed, respectively, as

            CDIP        1
     fDIP --- : -                                     77
            CPIP     KPIP ' S
     fpjp = — — =  •• ' "   -                                     78
            Gpip   1 + Kplp . S

     A wide range of partition coefficients is found in the literature.
Thomann and Eltzpatrick (1982) report values between 100 and 1600.  Using a
range in partition coefficients from 1,000 - 16,000 and a range of inorganic
solids of from 10 to 30 mg/1 in the water column leads to a range in the
fraction particulate inorganic phosphorus of from 0.01 to 0.33.

     The mechanism incorporated in the model framework for computing dis-
solved and sorbed phosphorus sacrifices some degree of realism for computa-
tional simplicity.  Essentially the dissolved and particulate phosphorus
phases are assigned as fixed fractions of the total inorganic phosphorus.
Internally the computation is performed as follows:  at the beginning of each
computational step in the integration procedure for each segment in the


                                     '67

-------
model, the total inorganic phosphorus is computed as the sum of the dissolved
and sorbed inorganic phosphorus in that segment, and then
redistributed to the dissolved phase, for algal uptake, and the particulate
phase, for settling, using an assigned fraction for each phase.  The
computational steps may be written:

     TIP = DIPt_1 + PIPt-1                                          79

     PIP = fp . TIP                                                 80

     DIP = (1 - fp) .' TIP                                           81

where:

     TIP     =    the total inorganic phosphorus, mg/L

     DIP^_i  =    the dissolved inorganic phosphorus resulting from the
                  previous integration step, mg/L

     PIP-t-1  =    the sorbed inorganic phosphorus resulting from the pre-
                  vious integration step, mg/L

     fp      =    the fraction of the total inorganic phosphorus assigned to
                  the sorbed or particulate phase, unitless

     DIP     =    the new "equilibrium" dissolved inorganic phosphorus,
                  available for algal uptake is the new "equilibrium" sorbed
                  inorganic phosphorus, which may then settle to the sediment
                  layer from the water column, mg/L.
1.4.5  The Nitrogen Cycle

     Four nitrogen state variables are modeled:  phytoplankton nitrogen,
organic nitrogen, ammonia, and nitrate.  A summary is illustrated in Figures
26 and 27.  The kinetic structure for nitrogen is similar to that for the
phosphorus system.  Table 7 summarizes the terms used in the nitrogen system
kinetics.  During algal respiration and death, a fraction of the cellular
nitrogen is returned to the inorganic pool in the form of ammonia nitrogen.
The fraction recycled to the inorganic pool for Great Lakes models has been
assigned at 50% (DiToro and Matystik, 1980).  The remaining fraction is
recycled to the organic nitrogen pool.  Organic nitrogen undergoes a bac-
terial decomposition whose end-product is ammonia nitrogen.  Ammonia nitrogen,
in the presence of nitrifying bacteria and oxygen, is converted to nitrate
nitrogen (nitrification) .  Both ammonia and nitrate are available for uptake
and use in cell growth by phytoplankton; however, for physiological reasons,
the preferred form is ammonia nitrogen.  The ammonia preference term takes
the following form.
     "NH3 = NH3 . - + NH3 . -        (82)
                                             (NH3+NO3 ) (KmN+NO3 )

-------
               1. AMMONIA NITROGEN.

               ^i = +K71e^T20 XPRC • c7-GPi • pNHj • c4 • aNC
                     mineralization         growth
 V  nT-20 .
—Kioo.-i  •
                       1212
                               KNIT +
                            nitrification
                                        • C,
               2. NITRATE NITROGEN
           KNIT + C6
     nitrification
                      C,-GPI
                                                              aNC
                                                  growth
                         T-20
          (r^rH
          \KNO, + ce /
                           denitrlfication

                                  2         1  f*  a 	-_--__-.-   r -.."-"*	 -_.ii II
                        * (K^TcT(K^+ C2)   '1  (C, + C2) (KmN + C2)
                        ammonia preference factor
                Figure 26.  Nitrogen cycle.
     The  behavior of this equation,  for a Michaelis value,  Kj^,  of 25 yg N/1,
is shown  in  Figure 28.  The behavior of Equation 82 is most sensitive at
low values of  ammonia or nitrate.   For a given concentration of  ammonia, as
the available  nitrate increases above approximately the  Michaelis limitation,
the preference for ammonia reaches  an asymptote.  Also as  the concentration
of available ammonia increases, the. plateau levels off at  values closer to
unity, i.e., total preference  for ammonia.

     The  process  of nitrification in natural waters is carried out by aerobic
autotrophs;  Nitrosomonas and Nitrobacter predominate  in  fresh waters.  It is a
two-step  process  with Nitrosomonas bacteria responsible  for the  conversion of
ammonia to nitrite and Nitrobacter  responsible for the conversion of nitrite
                                       69

-------
             4. PHYTOPLANKTON NITROGEN

                * - Nc  = (GPI - DPI	1 • c4 • aNC
                
-------
TABLE 7.  NITROGEN REACTION TERMS
Description
Nitrogen to carbon ratio
Organic nitrogen mineralization
rate @ 20°C
Temperature coefficient
Nitrification rate @ 20°C

Temperature coefficient
Half saturation constant for
oxygen limitation
Denitrif ication rate @ 20°C
Temperature coefficient
Notation
aNC
k1013
91013
k1314

^1314
Knit
k140
e140
Value
from Potomac
Estuary Model
0.25
0.075
1.08
0.09
0.13
1 .08
2.0
0.09
1 .045
Units
mg N/mg C
day"1
none
day"1

none
mg O2/&
day"1
none
Michaelis constant for denitri-
  fication

Fraction of dead and respired
  phytoplankton recycled...

  to the organic nitrogen pool

  to the ammonia nitrogen pool

Preference for ammonia uptake term
                            0.1
                LON
                fNH
              mg O2/A
  0.5         none

  0.5         none

cf. Eq. 82    none
               71

-------
 z
 o
 2
 2
 <
 3 as the electron acceptor.

     The process of denitrification is included in the modeling framework
simply as a sink of nitrate.  This process is assumed to always occur in
the sediment layer where anaerobic conditions always exist,  in the water
column, however, denitrification should occur only under extremely low dis-
solved oxygen conditions.  This is accomplished computationally by modifying
the linear first-order denitrification rate by the expression KNQ3/(KNO3 +
DO).  This expression is similar to the Michaelis - Menton expression, and
for concentrations of DO greater than 1 mg/1, this expression reduces deni-
trif ication to near zero, whereas for DO levels less than 0.1 mg/1 this
expression permits denitrification to occur.
                                     72

-------
1.4.6  The  Dissolved Oxygen  Balance

     Five  state variables  participate in  the  DO balance:  phytoplankton
carbon,  ammonia, nitrate,  carbonaceous biochemical oxygen demand,  and dis-
solved oxygen.   A summary  is illustrated  in Figure 29.  The  reduction of
dissolved oxygen is a consequence of the  aerobic respiratory processes in the
water column and the anaerobic processes  in the underlying sediments.  Both
these processes contribute sLqniELeantly  and,  therefore, it  is  necessary to
formulate  their kinetics explicitly-





NH3
1
J9

-------
     The methodology for the analysis of dissolved oxygen dynamics in natural
waters, particularly in streams, rivers, and estuaries is reasonably well-
developed (O'Connor and Thomann, 1972).  The long history of applications have
focused primarily on the use of biochemical oyxgen demand (BOD) as the mea-
sure of the quantity of oxygen-demanding material and its rate of oxidation
as the controlling kinetic reaction.  This has proven to be appropriate for
waters receiving a heterogeneous combination of organic wastes of municipal
and industrial origin since an aggregate measure of their potential effect is
a great simplification that reduces a complex problem to one of tractable
dimensions.

     A byproduct of photosynthetic carbon fixation is the production of
dissolved oxygen.  The rate of oxygen production (and nutrient uptake) is
proportional to the growth rate of the phytoplankton'since its stoichiometry
is fixed.  An additional source of oxygen from algal growth occurs when the
available ammonia nutrient source is exhausted and the phytoplankton begin
to utilize the available nitrate.  For nitrate uptake the initial step is a
reduction to ammonia which produces oxygen as shown in equation 83:

     2NO3 + 2NH3 + 302                                              83

Oxygen deficient, i.e., below saturation, waters are replenished via atmos-
pheric reaeration.  The reaeration coefficient is a function of the average
water velocity, depth, wind, and temperature.  EUTRWASP calculates flow-
induced reaeration based on the Covar method (Covar, 1976).  This method
calculates reaeration as a function of velocity and depth by one of three
formulas, Owens, Churchill, or O'Connor-Dobbins, respectively:

     ka.(20°C) = 21.7 . Vt.°'67 . H.~1*85                           84

     k • (20°C) =11.7 . V^°'97 . H-~1a67                           85
      "J                  ^J        J
or   k .(20°C) = 12.9 . V^°'50 . H.~1'50                           86
      aj                  T.J        j

where:

     K .  = reaeration rate coefficient at 20°C, day

     Vt-j  = average water velocity in segment j, ft/sec

     H-:  = average segment depth, ft

The Owens formula is automatically selected for segments with depth less than
2 feet.  For segments deeper than 2 feet, the O'Connor-Dobbins or Churchill
formula is selected based on a consideration of depth and velocity.  Deeper,
slowly moving rivers require O'Connor-Dobbins; moderately shallow, faster
moving streams require Churchill.

     Wind-induced reaeration is determined by

     k .(20°C) =  0.46 . W + 0.136 . W2                              87
                                      74

-------
where:

     W    =    time-varying windspeed at 10 cm above surface, m/sec

A minimum value of 1.6/H^ day'1 is imposed on k  .(20°C).  Windspeed affects
reaeration, then, above 6 meters/sec.  The reaeration velocity used to com-
pute volatilization is either the flow-induced reaeration or the wind-induced
reaeration, whichever is larger.  Segment temperatures are used to adjust
kaj(20°C) by the standard formula:

        k .(T) =k .(20°C) e^-20                                    88
         CIJ       **J        C*

where:

     T         =    temperature, °C

     ka-:(T)    =    reaeration rate coefficient at ambient segment
                    temperature, day1

     9a        =    temperature coefficient, unitless

Dissolved oxygen saturation is determined as a function of temperature:

     DOsat = 14-652 ~ 0.41022.T + 0.007991.T2 - 0.00007777.T3       89

     Oxygen is diminished in the water column as a result of algal respira-
tion, which is basically the reverse process of photosynthesis:

           12
     C4 + (— . aQc) O2 	> CO2                                    90
           32

where:

     C^   =    phytoplankton carbon, mg/L

     aQC  =    oxygen to carbon ratio for phytoplankton espiration, gO2/<3^^

Additional losses of oxygen occur as a result of nitrification:

     NH+ + 202 -»• N03 + H2O + H+                                   91

and of oxidation of carbonaceous material (including detrital phytoplankton).
These three reactions together with sediment oxygen demand (to be detailed
below) account for the loss of oxygen in the water column.

     The oxidation of carbonaceous material is the classical BOD reaction.
Internally the model uses ultimate carbonaceous biochemical oxygen demand
CBOD as the indicator of equivalent oxygen demand for the carbonaceous
material.  The principal source of CBOD, other than man-made sources and
natural runoff, is detrital phytoplankton carbon, produced as a result of
algal death.  The loss mechanisms associated with CBOD are oxidation

                                     75

-------
     CxHyOz * C02 + H20                                             92

and denitrif ication

     5CH20 + 5H20 + 4N03 + 4H+ •> 5CO2 + 2N2 + 1 2H2O                 93

although the latter is not a significant loss in the water column.

     Direct comparisons between observed BODg data and model output cannot be
made using the internal CBOD5 computed by EUTRWASP, since field measurements
may be tainted by algal respiration and the decay of algal carbon.  Therefore
a correction must be made to the internally computed model CBODg so that a
valid comparison to the field measurement may be made.  This results in a new
variable, known as the bottle BOD^ , which is computed via equation 94.

     Bottle BOD5 = CBOD5 + aQCPc( 1 -e5 •k1R(T) )                       94

where:

     CBODtj     =    the internally computed 5-day CBOD, mg/L

     aQC       =    the oxygen to carbon ratio,  mg C>2/mg C

     Pc        =    the phytoplankton biomass in carbon units, mg/L

              , =    the algal respiration rate at 20°C, the temperature
                    at which the field samples were incubated, day"1

     Note that Equation 94 is a conservative estimate of the observed bottle
BOD because it does not include a correction for the decay of detrital algal
carbon, which in turn depends upon the number of non-viable phytoplankton.
Also, Equation 94 may tend to underestimate observed bottle BODs if a nitri-
fying inhibitor is not used before setting the BODs.  Therefore, depending
upon environmental conditions in the water body from which the samples were
taken, some oxygen utilization may be occurring in the bottle due to nitrifi-
cation, which is not included in the internal computation of bottle BOD by
EUTRWASP.  Therefore, it is reasonable to expect that the model will under-
estimate bottle BOD.

     Table 8 summarizes the water column CBOD and DO reaction rates.  The
formulation for the sediment reactions require a more detailed explanation
of the sediment mass transport and kinetics and these are presented sub-
sequently.
1.4.7  Sediment - Water Interactions

     The decomposition of organic material in benthic sediment can have
profound effects on the concentrations of oxygen and nutrients in the over-
lying waters.  The decomposition of organic material releases nutrients
to the sediment interstitial waters and also results in the exertion of an
oxygen demand at the sediment- water interface.  As a result, the areal fluxes

                                      76

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                     TABLE 8.  CBOD  AND  DO  REACTION RATES
Carbonaceous Biochemical Oxygen Demand





                                             [DO]
     S18j " aOCk1DtPc] - kd9d"
                                              + too]
            - 5/4

                                          %0
Dissolved Oxygen




     S19j = aOCG1j[Pc] +  (aNO,C)(1  -

            - a   kReiRT"2°[Pc^ -  2 aON k131491314T"2°[NH3]
                                                                   + [DO]
- kdeT-20[CBOD]
                                 [DO]



                                 +
                                      77

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               TABLE 8.  CBOD AND DO REACTION RATES (Continued)
                               Rate Constants
Description
             Value
          from Potomac
Notation  Estuary Model  Units
Oxygen to carbon ratio

Ratio of the ultimate to 5-day
  carbonaceous biochemical
  oxygen demand

Deoxygenation rate @ 20°C
Temperature coefficient

Half saturation constant for
  oxygen limitation

Oxygen to nitrogen ratio
Oxygen to carbon ratio for
  nitrate uptake

Reaeration rate @ 20°C

Temperature coefficient

Dissolved oxygen saturation
BOD
    U5
aNO C
6,-
DO
                                        sat
32/12

1 .85




0.21

0.16

1 .047

0.5


32/14
              48
             (~~)aNC
              1 4
                         mg O2/mg C

                         none
                            "1
                         day
                         none
                         mg
                         mg O2/mg N
                            "1
           cf Eq. 84-87  day

             1 .028       none

           cf Eq. 40     mg O2/1
from the sediment can be substantial nutrient sources or oxygen sinks, on a
volumetric basis, to the overlying water column.  Additionally, the occur-
rence of anoxia, due in part to the sediment oxygen demand, may dramatically
increase certain nutrient fluxes.  The details of the mechanisms responsible
for this increase are as yet unclear but they are related to a set of complex
redox reactions that change the state and concentrations of various nutrients
and metals thereby releasing bound nutrients.  The relative importance of the
sediment oxygen demand and nutrient fluxes vis-a-vis future nutrient control
strategies requires the incorporation of a dynamic sediment layer and its
associated interactions with the overlying water column in a framework that
is consistent with that discussed in the previous sections.
                                      78

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     This model provides  two  options for nutrient and oxygen fluxes:  descrip-
 tive input and predictive calculations (Fig. 30).  The first option is  used
 for networks composed of  water column segments only,  observed fluxes and
 surface areas must be specified for ammonia, phosphate, and dissolved oxygen
 (i.e., sediment oxygen demand).  Time functions may be specified for ammonia
 and phosphate, reflecting seasonal changes.
             1. OBSERVED FLUXES



ttt
1 2 3
                                                 Water  Column
                                                   Segments
                 1.  AMMONIA LOAD     = +FNH4 • As •  TFNH4
                 2.  PHOSPHATE LOAD   = +FPo4 • As •  TFP04
                 3.  DISS OXYGEN LOAD = -SOD  • As	
                                           Flux Surface   Time
                                                Area   Function
            2. CALCULATED FLUXES
                                   Water Column Segment

                                   Benthic  Segment
                  1,2,3,6,7,8

             Figure  30.  Sediment-water exchange.
     The calculational framework incorporated for benthic-water  column
exchange draws principally from a study of Lake Erie,  which  incorporated
sediment-water column interactions,  performed by Di Toro and Connolly (1980).
The mass-balance equations for dissolved and particulate materials are pre-
sented first, principally to show mass transport, followed by the descrip-
tions of the kinetics for nitrogen,  oxygen, and phosphorus as were incor-
porated in  the modeling framework.
                                    79

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     For a one-layer benthic layer with thickness, h, the particulate and
dissolved mass balance equations are respectively:

     9cpi _ vs         vsd
          -    • Cpj -     . Cp^ - kp . Cp^                          95
     8th           h
     9cwi   E                  vsd
and  - = — . (Cwj - Cwi) -- . Cwi - kw . Cwi                  96
     8t     h2                  h

where:

     i , j ,  = indicates benthic layer and water column, respectively
   cpi' cpj = the particulate material concentrations in the benthic layer
              and water column respectively, mg/1
   cwi' cwj = the dissolved concentrations in the benthic interstitial waters
              and overlying water column respectively, mg/1

     vg     = the net settling velocity of particulates across the water
              column-benthic interface, ft/day
     vsd    = the sedimentation velocity induced by sedimentation, relative
              to a coordinate system fixed with respect to the benthic
              surface, ft/day

     E      = the diffusive exchange rate between dissolved concentrations in
              the interstitial water and the overlying water column, ft? /day

    kp, kw  = first order reaction rates associated with the particulate and
              dissolved phases respectively, day~~1 .

A more detailed parameterization of settling into the benthos would include
not only a downward settling velocity but an upward resuspension velocity as
well.  In this context, then, the single settling velocity used in these
computations can be thought of as the settling velocity that represents the
net flux to the sediment due to the difference between the downward settling
flux and the upward resuspension flux.

     One of the first decisions to be made regarding the benthic layer is to
determine its depth.  Two factors influence this decision.  The first is to
adequately reflect the thickness of the active layer, the depth to which the
sediment is influenced by exchange with the overlying water column.  Secondly
one wishes the model to reflect a reasonable time history or "memory" in the
sediment layer.  Too thin a layer and the benthos will "remember" or be
influenced by deposition of material that would have occurred only within the
last year or two of the period being analyzed; too thick a layer and the
model will "average" too long a history, not reflecting, as in the case of
phosphorus, substantial reductions in sedimentary phosphorus resulting from

                                     80

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reduced phosphorus discharges from sewage treatment plants.  The choice of
sediment thickness is further complicated by spatially variable sedimentation
rates.  The benthic layer depths, together with the assigned sedimentation
velocities, provide for a multi-year detention time or "memory1, providing a
reasonable approximation of the active layer in light of the observed pore
water gradients.

     The next consideration is the application of these mass balance equa-
tions to the nitrogen species in a reducing sediment (Berner, 1974).  Parti-
culate organic nitrogen is hydrolyzed to ammonia by bacterial action within
the benthos.  In addition to the ammonia produced by the hydrolysis of parti-
culate organic nitrogen in the benthos, ammonia is generated by the anaerobic
decomposition of algae.  In a study of this reaction, Foree and McCarty
(1970) showed that the anaerobic rate of decay of algae is substantial
(0.007-0.022 day"1).  However, the end product initially is not exclusively
ammonia.  Rather, a fraction of the algal nitrogen becomes particulate or-
ganic nitrogen, which must undergo hydrolysis before becoming ammonia.
     Ammonia produced by the hydrolysis of non-algal organic nitrogen and
the decomposition of detrital algal nitrogen may then be exchanged with the
overlying water column via diffusion.  No nitrification occurs in the sedi-
ment due to the anaerobic conditions present in the sediment.  Denitrifica-
tion, the conversion of nitrate to nitrogen gas, may occur, however.  Nitrate
is present in the benthos due to diffusive exchange with the overlying water
column.

     The analysis of the benthic nitrogen concentrations and the resulting
flux of ammonia is relatively straightforward because of the simplicity of
the kinetics:  hydrolysis and anaerobic algal decay produce a stable end
product, ammonia, which does not undergo further reactions in the anaerobic
sediment.  The equations resulting from the above framework are presented in
Table 9.

     The reactions that convert algal and refractory carbon to their end
products are more complex.  The initial step in which the algal and refrac-
tory carbon are converted to reactive intermediates appears to be similar to
the refractory organic and algal nitrogen degradation, and in the subsequent
calculations, the rates for carbon and nitrogen decomposition are assumed to
be equal.  The reactive intermediates, however, participate in further reac-
tions: for example, volatile acids react to become methane, and the mecha-
nisms that control these reactions are somewhat uncertain.  In addition, few
measurements of these intermediate species are available and a calculation
that incorporates their concentrations explicitly would of necessity be
speculative.  Thus, one uses a simplified, yet realistic, formulation of
these reactions.

     The method proposed by Di Toro and Connolly (1980), and highlighted here,
is based upon separating the initial reactions that convert sedimentary organ-
ic material into reactive intermediates and the remaining redox reactions that
occur.  Then using a transformation variable and an orthogonality relation-
ship, DiToro and Connolly derive mass balance equations that are independent

                                     81

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               TABLE 9.  SEDIMENT LAYER NITROGEN  REACTION TERMS
Total Organic Nitrogen (TON)
     S10j
Ammonia Nitrogen
     S13j
Nitrate Nitrogen
     o    - lr   O   T-20
     b14j ~ K14CT140
Sediment Ammonia Flux Rate
               % IF
     NH3     - ---- ( [NH3]   -  [NH3]   )
        flux    h         sl        wc
                    (positive rate •»• flux from sediment  to water column)
Sediment Nitrate Flux Rate
     N03     = ---- ([N03J   -  [N03]   )
        flux    n         si      '  wc
                    (negative rate •*• flux from water  column  into sediment)
                                      82

-------
         TABLE 9.  SEDIMENT LAYER NITROGEN REACTION TERMS (Continued)
Description
Notation
   Value
from Potomac
Estuary Study   Units
Anaerobic algal decomposition rate
Temperature coefficient
Organic nitrogen decomposition rate
Temperature coefficient
Diffusive exchange coefficient
Benthic layer depth
Benthic layer
Water column
kPZD
9PZD
kOND
9OND
w
h
bl
we
0.02
1 .08
0.0004
1 .08
2.0-2.5
0.22-0.67


day"1
none
day"1
none
cm /day
ft


of the details of the redox equations.  Rather they are only functions of
the component concentration, and it suffices to compute only the component
concentrations, which can be treated in exactly the same way as any other
variable in the mass transport calculation.

     The convenient choice of components for the calculation are those that
parallel the aqueous variables:  carbonaceous BOD and dissolved oxygen.
Restricting the calculation to these components, however, eliminates the
possibility of explicitly including the effects of other reduced species
such as iron, manganese, and sulfide, which play a role in overall redox
reactions and may be involved in the generation of sediment oxygen demand.
This simplication appears reasonable in light of the preliminary nature of
the benthic calculation.

     The decomposition reactions that drive the component mass balance equa-
tions are the anaerobic decomposition of the algal carbon, and the anaerobic
breakdown of the benthic organic carbon.  Both reactions are sinks' of the
oxygen and rapidly drive its concentration negative, indicating that the
sediment is reduced rather than oxidized.  The nfsgative concentrations com-
puted can be considered the oxygen equivalents of the reduced end products
produced by the chains of redox reactions occurring in the sediment.

     Because the calculated concentration of oxygen is positive in the over-
lying water, it is assumed that the reduced carbon species (negative oxygen
equivalents) that are transported across the benthic water interface combine
with the available oxygen and are oxidized to CO2 and I^O with a consequent

                                      83

-------
reduction of oxygen in the overlying water column.  The sediment mass balance
equations for carbonaceous BOD and DO, together with the equation for sedi-
ment oxygen demand, are presented in Table 10.
             TABLE 10.  BENTHIC LAYER BODc AND DO REACTION RATES
Carbonaceous 5-day Biochemical Oxygen Demand
     S18j -
            -
              4

Dissolved Oxygen
     S19j
Sediment Oxygen Demand


                (tDOlwc - tDO]bl)


                (positive rate •*• flux from water column into benthos)
           %> IF
     SOD = ----
            h
Description
                                              Notation   Value
                                                                   Units
                                                 DIF
Organic carbon (as CBOD) decomposition rate     kD_

Temperature coefficient                         &DS

Diffusive exchange coefficient

Benthic layer depth                             h

Benthic layer                                   bl

Water Column                                    we
                                                          .0004

                                                          1 .08
                                                                        -1
                                                                     day

                                                                     none
     A complete analysis of the phosphorus fluxes from sediments would require
a rather complex and elaborate computation of solute-precipitate chemistry
and its interaction with the mass transport of the dissolved species. The
reasons for this are twofold:  first, it is well known (Nriagu, 1972) that
for phosphorus the formation of precipitates affects the interstitial water
concentrations, thereby affecting the interstitial water transport of the
                                     84

-------
various phsophorus forms or species; second, the dissolved concentrations are
affected by the redox reactions, which in turn, affect the phosphorus fluxes
that occur during aerobic and anaerobic conditions.  (Phosphorus fluxes are
enhanced under anaerobic conditions).

     A computation of solute-precipitate chemistry was judged to be outside
the scope of this study.  Instead, a simplified approach was taken, which
to a large degree relies on empiricism.  Anaerobic decomposition of refrac-
tory organic phosphorus and detrital algal phosphorus is assumed to occur
using the same rate expressions and rate constants as those for organic
nitrogen.  However, the fraction of the end product, dissolved inorganic
phosphorus, that remains in the interstitial water is not involved in the
formation of precipitates or being sorbed onto the benthic solids but
varies spatially.  This spatial variation reflects of the ionic chemical
make up of the benthos in various regions of the water body.

     Using observed total and interstitial dissolved inorganic phosphorus
values, the fraction particulate (or sorbed) inorganic phosphorus can be
assigned as a segment parameter, with the particulate and dissolved inorganic
phosphorus computed for each time step in a manner similar to the overlying
water column inorganic phosphorus (equations 79 through 81).  Exchange of
the dissolved phosphorus forms with the overlying water column is also
similar to that of ammonia, nitrate, and dissolved oxygen.  Mass balance
equations are presented in Table 11.  The effects of anoxia upon sediment
phosphorus flux were not included in the modeling framework.  The approach
used to generate sediment phosphorus flux, although not entirely satisfac-
tory, is at least consistent with the framework within which the fluxes of
other materials are being generated.
1.5  THE TOXIC CHEMICAL MODEL

     TOXIWASP is a dynamic compartment model of the transport and fate of
organic chemicals and metals in all types of aquatic systems.  It combines
the hydrodynamic capabilities discussed in Section 1 .2 and the transport
capabilities discussed in Section 1.3 with the sediment balance and chemical
transformation capabilities discussed here.  The chemical transformations
were adopted from EXAMS (Burns et al., 1982), which remains a good reference
manual.
1.5.1  Overview of TOXIWASP

     Several physical-chemical processes can affect the transport and fate of
toxic chemicals in the aquatic environment.  The most important are pictured
in Figure 31, taken from the chapter on aquatic chemistry in Mills et al.
(1985).  TOXIWASP explicitly handles most of these, excluding only acid-base
equilibria, reduction, and precipitation-dissolution.

     TOXIWASP simulates the transport and transformation of a single chemical
and total sediment in water column and benthic segments.  Within each segment

                                      85

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the chemical is divided into three phases:  dissolved, sorbed, and biosorbed,
as illustrated in Figure 32.  Because local equilibrium among the phases is
assumed, they constitute a single state variable, or WASP system.  TOXIWASP,
then, is composed of two systems, chemical and sediment, for which the general
WASP3 mass balance equation is solved:
              TABLE 1 1 .  BENTHIC LAYER PHOSPHORUS REACTION TERMS
Dissolved Organic Phosphorus (DOP)

     c   _ =  f   (v   ft   T-2CK rp i  _ v   a   T-20rnnpi
     b5j ~ aPrlKW       ' ltj    KW       LDOPJ
Particulate Organic Phosphrous (POP)


     S6j - apcW'pZD^ZD*'20* tPC] - kOPDeOPDT"2°[POP]
Dissolved Inorganic Phosphorus (DIP)


     S8j = aPCfDIP(kPZDepZDT~20) [PC] - kOPDeOPDT~2°([DIP]+tPOPl)
Particulate inorganic Phosphorus (PIP)


     S9j = 0



State Equations

     Total Inorganic phosphorus (TIP)

          TIP = DIP + PIP

          PIP = fpbl . TIP

          DIP = (1 - fpbi) . TIP



Sediment phosphorus Flux Rate
                   .
     pflux = ----  {([DIP]bl - [DIP] we) + UDOP]bl -
              h

                   (positive rate •»• flux from sediment to water column)
                                      86

-------
        TABLE 1 1.   BENTHIC LAYER PHOSPHORUS REACTION TERMS (Continued)
Description
Organic phosphorus decomposition rate
Temperature coefficient
Fraction particulate in the sediment layer
Diffusive exchange coefficient
Benthic layer depth
Benthic layer
Water Column
Notation Value Units
kopo 0.0004 day'1
®OPD 1 *08 none
fpbl 0.955- none
0.999
EDIF cf* Table 9
h
bl
we
Figure 31.  Speciation, transport and transformation processes in the
  aquatic environment (Mill et al. 1985).
                                     87

-------
     A (Vj  .
         At
where:

       Cw = Dissolved chemical, mg/L

       Cs  = Sorbed chemical, mg/L

       Cb  = Biosorbed  chemical, mg/L


Figure 32.  Physical-chemical processes.




  L *•  *^ij   *  ij    ij      i    j
                    I WLj +  I WBj +  I Vj  .  Skj                         97
                    L        B        k
     V-   =    volume of  segment j,  L

     Cj   =    concentration  of the  water quality constituent in segment
               j, M/L3

     t    =    time, T

-------
     Qi_=  =    advective flow between segments i and j, defined as positive
               when leaving segment j , and negative when entering, L-^/T

     C-.  =    constituent concentration advected between i and j, M/L

          =    v . Cj + (1 - v) . Ci when entering j

               v . C^ + (1 - v) . C-: when leaving j

      v   =    numerical weighting factor, 0-0.5

     R..  =    dispersive flow between segments i and  j, L /T
     E. .   =    dispersion coefficient between segments i and j, L2/T

     A...   =    cross-sectional area between segments i and j, L2

     &ij   =    characteristic mixing length betwen segments i and j, L

     W-^-;   =    point and diffuse loads into segment j , M/T

     Wgj   =    boundary loads into segment j, M/T

     S, •   =    kinetic transformations within segment j, M/L  /T
      KD
To this general equation, the TOXIWASP subroutines add specific transport
processes, including settling, deposition, scour, sedimentation, pore water
percolation, pore water diffusion, and benthic-water column dispersive ex-
change.  The net effect is to customize equation 97 for the four general
cases of chemical and sediment in water column and benthos:
Sediment in Water Column--
     A (V  .
         j .  j
                 =  I [-Qij •
                                  - wsij  . Aij  . Sj +
         At         i
                + I WLS + I wBjs                                      98
                  L       B
Chemical in Water Column—

     A (Vi . C-;)
         J    J     V r
         Tt      =  i-    ij
                                  - wsij  . A^  . Sj  . C
                                      89

-------
             +
               L
                   I WLjc  +  I WBjc + I Vj  .  Skjc                       99
Sediment in Bed—
                     [-wsed,ij  •  Aij  •  Sj]  ~ 1 WBjs = 0                 100
         At       i                          B
Chemical in Bed—

     A (Vj . Cj )
                                              A. .    C •  "I- O     C.+R»   A
                         -*-_j     Y» j-j     ij •— \-*._i_ i      J     J     ^c"3    ^^3     "i i
                 + I WLjc  -  I WBjc  + I Vj  .  Skjc                       101
                   L         B         k

whe r e :

     C      =    chemical  concentration,  M/1,3

     C      =    dissolved chemical concentration, M/L water

     C      =    sorbed  chemical concentration,  M/Msedj.ment

     S      =    sediment  concentration,  M/L^

     wg^-j   =    settling  velocity  in water,  positive leaving j , negative
                 entering  j , L/T

   Wsedi1   =    sediment  velocity  in bed,  positive leaving j, negative
                 entering  j , L/T

     Q  .    =    pore water  Elow generated  by sediment compaction, L^/T
R., . .
                 pore water diffusive exchange flow, L T
     t^    -    average  tortuosity of segments i and j , Lwa^-er/L

     n..    =    average  porosity of segments i and j, L^ater/L

sxibscript c =  refers  to  chemical

subscript s =  refers  to  pediment

                                      90

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The processes of deposition, scour, and benthic-water column dispersive
exchange are considered special boundary loads expressed in the term £ WBJ.
Their functional forms are developed below.                          B

     In addition to these transport processes, the TOXIWASP subroutines add
specific chemical transformation processes.  From chemical characteristics
of a compound and the environmental parameters of the system, TOXIWASP for-
mulates a total transformation rate.  This rate is based on a simple addition
of the pseudo-first order rates for hydrolysis, photolysis, oxidation, and
biodegradation.  In addition, the volatilization rate is calculated and added
to the transformation rate.  Sorption onto sediment and onto biomass is
calculated assuming local equilibrium, using a chemical-specific partition
coefficient and spatially varying environmental organic carbon fractions. '
These transformation processes are expressed in the term £ S^j.  Their func-
tional forms are developed below.                        k

     TOXIWASP uses equations 98-101 to calculate sediment and chemical mass
and concentrations for every segment in a specialized network that may in-
clude surface water, underlying water, surface bed, and underlying bed.
Three examples are given in Figure 33.  In a simulation, sediment is treated
as a conservative constituent that is advected and dispersed among water
segments, that settles to and erodes from benthic through net sedimentation
or erosion.  Benthic sediment concentrations remain constant, with the upper
benthic volume expanding or contracting to conserve mass.

     In a simulation, the chemical undergoes first-order decay, based on
summation of several process rates, some of which are second-order.  Thus,
the effective first order decay rate can vary with time, and space, and is
recalculated as often as necessary throughout a simulation.  The chemical is
advected and dispersed among water segments, and exchanged with surficial
benthic segments by dispersive mixing.  Sorbed chemical settles through water
column segments and deposits to or erodes from surficial benthic segments.
Within the bed, dissolved chemical migrates downward or upward through perco-
lation and pore water diffusion.  Sorbed chemical migrates downward or upward
through net sedimentation or erosion.  No lateral migration of the chemical
within the bed is allowed.

     Some limitations should be kept in mind when applying TOXIWASP.  First,
chemical concentrations should be near trace levels, i.e., below half the
solubility or 10~5 molar.  At higher concentrations, the assumptions of
linear partitioning and transformation begin to break down.  Chemical density
may become important, particularly n«ar the source, such as in a spill.
Large concentrations can affect key environmental characteristics, such as pH
or bacterial populations, thus altering transformation rates.  TOXIWASP does
not include such feedback phenomena.

     It should be noted that TOXIWASP, like WASP3, requires the user to
specify the flow field.  Flows can be based on measurements, simple con-
tinuity calculations, or on hydrodynamic model simulations.  WASP3 does not
check the flow field for inconsistencies, which may lead to mass balance
errors.  The user should take care to check the specified flows for errors.
For simulations using hydrodynamic results from DYNHYD3, volumes and flows

                                     91

-------
          Chemical and Sediment Loads
                                               River
    Flow
                          0   —
    Flow
           Chemical and
          Sediment Loads
                X
 Chemical and
Sediment Loads
     i.
Lake
                                  Flow
             Segment Type
            Surface Water
            Subsurface Water
            Surface Bed
            Subsurface Bed
                        Pond
                    Advective Flow
                    Dispersive Mixing
     Figure 33.   Examples of TOXIWASP  network configuration.
from the SUMRY2 file are used directly,  and flow continuity is maintained.

     In the following development it is  convenient to  define concentration
related symbols as in Table 12.

     *
1.5.2  The Sediment System

     Sediment transport is potentially a very important process influencing
chemical transport and fate.  Many chemicals sorb strongly to sediment and
thus undergo settling, scour, and sedimentation.  Sorption also affects a
chemical's transfer and transformation rates.  Volatilization and base-
catalyzed hydrolysis, for example, are slowed by sorption.  Both sediment.
transport rates and concentrations must be estimated in most toxic chemical
studies.
                                     92

-------
TABLE 12.  CONCENTRATION RELATED SYMBOLS USED IN MATHEMATICAL EQUATIONS
Symbol
CJ

-------
     Investigators (Karickhoff et al., 1979;  Rao and Davidson,  1980)  have
shown that for most organic toxicants, particularly non-polar compounds,
the sediment organic matter determines the extent of sorption and hence
the importance of sorbed-pollutant transport.  The particle size of the
sediments is influential, but Rao and Davidson (1980) have shown that the
organic matter content of each size fraction  is the controlling factor.
Organic matter content and surface area relationships suggest that silt
and clay-size sediment fractions are most relevant in sediment  transport.

     One outcome of this rationale is the idea that, in river systems,  wash
load or suspended sediment is the important pollutant transport medium
rather than bed load,  if bed load transport  can be ignored, -the problem
remains to estimate suspended sediment.  In general, the stream transport
capacity for wash load is in excess of its actual load, and the problem
is one of estimating sediment source loading—namely, watershed erosion.,
In areas of backwater behind dams or in sluggish reaches, the stream
transport capacity may drop enough to allow net deposition. Strongly
sorbed pollutants may build up significantly. Because sediment  transport:
can be complex, sitespecific  calibration of  the settling, scour, and
sedimentation rates is usually necessary.

     TOXIWASP treats sediment in the water column and the bed as a conser-
vative substance governed by equations 98 and 100.  The major processes of
advective and dispersive transport; sediment  loading, benthic exchange,
and bed sedimentation and erosion are presented in the following sections.
An overview of TOXIWASP sediment processes is given in Figure 34.
1.5.2.1  Suspended Sediment Transport

     Advective and dispersive flows carry suspended sediment to adjacent:
water segments.  Standard WASP input for flows,  dispersion  coefficients,
cross-sectional areas, and characteristic lengths must be specified,   in
addition, TOXIWASP allows settling to lower water segments  and  deposition
to surficial bed segments.  Settling velocities  wg should be set within the
range of Stoke's velocities corresponding to the suspended  particle size
distribution:

          8.64 . g
     v	. (p  - pw) .  dp                         103
          18 . u
where:
     Vs   =    Stokes velocity for particle with diameter dp and density pp,
               m/day

     g    =    acceleration of gravity = 981 cin/sec2

     y    =    absolute viscosity of water = 0.01 poise (g/cm^-sec)  at 20°C

     dp   =    particle diameter, mm

-------
                  r
                                XA

                                ±*
         Process
         a)  Mass Loading
         b)  Advection
         c)  Dispersion
         d)  Settling
         e)  Erosion
Segment Types
1,2 to Water
1,2 Water-Water
1,2 Water-Water
1,2 Water-Water  or Water-Bed
3 Surface Bed-Water
         Figure 34.   TOXIWASP sediment transport processes.
Values of Vs for a range of particle sizes and densities are provided in
Table 13.  Deposition velocities should be set to some fraction of Vg, as
discussed in the section on benthic exchange.   Spatially variable settling
velocities can be specified using parameter WS(ISEG) for appropriate water
column segments.
1.5.2.2.   Sediment Loading

     Sediment  loading derives  primarily from watershed erosion and bank
erosion.   These can be measured or estimated by several techniques, and input
into each segment as a waste load.  For some problems, long term average
sediment  loads can be calculated using the Universal Soil Loss Equation
(Wischtneier and Smith,  1965).  A useful treatment of this process is given
                                    95

-------
                TABLE 13.  STORE'S SETTLING VELOCITIES AT 20°C
Particle
Diameter, mm
Fine Sand
0.2
0.05
Silt
0.05
0.02
0.01
0.005
.0.002
Clay
0.002
0.001
Particle
1.8 2.0
380 470
94 120
•
94 120
15 19
3.8 4.7
0.94 1.2
0.15 0.19

0.15 0.19
0.04 0.05
Density, g/cm^
2.5
710
180

180
28
7.1
1 .8
0.28

0.28
0.07
2.7
800
200

200
32
8.0
2.0
0.32

0.32
0.08
     Settling velocities in m/day
by Mills et al. (1985).  This technique works poorly for short term or inher-
ently dynamic problems because much of the sediment loading occurs during a
few extreme storm or snow melt events.  If available, suspended sediment data
at local gaging stations can be extrapolated to provide area-wide loading
estimates.  Alternatively, daily runoff loads can be simulated with a water-
shed model and read-in directly from an appropriately formatted nonpoint
source loading file.
1.5.2.3.  Benthic Exchange

     Benthic exchange of sediment is driven by the net scour and deposition
velocities:
                        . (WR . S± - WD . Sj
104
                                     96

-------
where:

          WR   =    scour velocity, L/T

          Wp   =    deposition velocity, L/T

          A..   =    benthic surface area, L

          i    =    benthic segment

          j    =    water segment

The deposition velocity can be calculated as the product of the stokes
settling velocity and the probability of deposition:

          WD   =    ws • °D                                       105

where:

      c^j =    probability of deposition upon contact with the bed.

The probability of deposition depends upon the shear stress on the benthic
surface and the suspended sediment size and cohesiveness.  Likewise, the
scour velocity depends upon the shear stress, the bed sediment size and
cohesiveness  , and the state of consolidation of surficial benthic deposits.
Figure 35 is  offered as initial guidance in specifiying initial deposition
and scour velocities.  For example, course silt of 0.05 mm diameter may
settle at 100 to 200 m/day, but should not deposit where mean stream velocity
is above 0.5 cm/sec.  Where mean velocity rises above 30 cm/sec, erosion is
expected, and nonzero scour velocities should be specified.  For fine silt of
0.005 mm diameter settling at 1 to 2 m/day, deposition is not expected, even
under quiescent conditions.  Nonzero scour velocities should be specified
where mean velocity is above 2 m/sec.  Site-specific calibration is necessary
to refine the initial estimates.  Spatially variable deposition and scour
velocities are read-in using the parameter WS(ISEG).  These are net, time-
averaged velocities.  If time-variable deposition and scour velocities are
necessary, guidance is available for altering the program appropriately.


1.5.2.4  Bed Sedimentation and Erosion

     TOXIWASP treats bed sediment as a conservative substance that migrates
down or up with respect to the bed surface in response to net sedimentation
or erosion.  The governing equation 100 presented above is written with
respect to the bed surface and has two terms in equilibrium-sedimentation and
benthic exchange.  When sediment deposition exceeds sediment scour,  WBs is
negative and net deposition leads to a rising bed surface and burial of sedi-
ment and sorbed chemical.  When sediment scour exceeds sediment deposition,
WBs is positive and net erosion leads to a falling bed surface and release of
previously buried sediment and sorbed chemical.
                                     97

-------
           1000
                    TRANSPORTATION
             0.1
                   II I  I  III  I  III
                  cinin  x ««n tn —.  m
iss
                  ooo
                     I	
                    III  I   II
                    ***** 2 22
                                                             ooo
                                                             goo
                CLAY
SILT
                     SAND
                            PARTICLE SIZE DIAMETER, mm
          Figure 35.   Relationship between stream velocity, particle
           • size,  and  the  regimes of sediment, erosion, transport,
            and deposition (Graf 1971) .
     A simple method for treating sedimentation  is  to define bed segment
locations in reference  to the  rising or  falling  bed surface.  If the bed
surface rises at wged cm per year,  then  buried sediment and chemical descend
through the bed at wged cm per year in reference to the rising bed segments
(all other bed dispersion processes being  ignored for the moment).  There are
two complications in this approach. First, if the density of the bed in-
creases with depth, then compression must  be  occurring, decreasing wse(j and
squeezing the pore water and dissolved chemical  upward. Second, the simula-
tion time step is extemely short in relation  to  the net sedimentation velo-
city.  This leads to rather severe "numerical dispersion,"  a form of compu-
tational inaccuracy within the bed.

     To handle the first complication, TOXIWASP  assumes two types of bed
sediment:  an upper uncompacted layer  with sediment concentration Sj and
lower, compacted layers with sediment  concentration S^.  Given the
assumption of sedimentation in equilibrium with  net deposition, all
physical bed properties remain constant.  When sediment mass W^ is added
to the upper layer, the same mass is transferred to lower layers.  The
sediment volume added to the upper layer is WBs/Sj, while the volume
                                     98

-------
added to the lower layer is WBs/Si .  The difference in volumes is equal
to  the pore water volume squeezed  out through compaction:
         = WBS  • (SJ  - SI)                                      106
where :
     o   = pore water flow from compaction, L /T

The rise in the bed surface equals the volume added to the lower layer
divided by the surface area:

     wsed = wBs/                                        107

     To handle the second complication of numerical dispersion in the bed,
TOX1WASP implements a version of this simple approach that amounts to a
Lagrangian scheme for treating movement of chemical through the bed as a
result of sedimentation.  The time step for sedimentation is calculated
internally, based on the scour and deposition rates.  Whereas the simulation
time step is on the order of hours, the sedimentation time step is on the
order of months to years.  The sedimentation time step varies with location
and time and is tailored to minimize numerical dispersion in sedimentation
calculations.

     For locations where sediment deposition exceeds scour, TOXIWASP responds
as in Figure 36.  As sediment and sorbed chemical settle from the water
column (segment 1) , the top bed segment (number 2) increases in volume,
depth, chemical mass, and sediment mass.  Its density remains constant.  When
the sediment mass in the top bed segment equals the initial sediment mass in
the top two bed segments, then sediment compression is triggered.  At this
time the top bed segment depth (and volume) exceeds the initial top two bed
segment depths (and volumes) as indicated in Figure 36.  The top bed segment
is now compressed into two segments.

     The new top bed segment has the same depth, volume, and sediment mass as
the initial top bed segment.  The new second bed segment has the same depth,
volume, and sediment mass as the initial second bed segment.  (In fact, these
properties of lower bed segments always remain constant.) The combined volume
of the top two bed segments is now slightly less than the volume of the top
bed segment just before compression.  This volume represents pore water
squeezed into the water column during compression.  Chemical mass in the top
two bed segments equals the chemical mass in the top bed segment just before
compression minus the dissolved chemical mass in the pore water squeezed into
the water column.  Whereas chemical concentration remains constant in the top
bed segment during the compression step, concentration increases in the new
second bed segment where compression actually occurs.

     Although this sedimentation algorithm minimizes numerical dispersion, it
does lead to discontinuous concentration histories in lower bed segments as
their locations are redefined.  For "smoother" output with slightly higher
numerical dispersion, TOXIWASP can recalculate sedimentation ten times per
sedimentation time step.  The user can adjust this ratio by altering the

                                     99

-------
      to
                               to + At
       I
I
                                                *
                                               ...t.

Segment
1
2
3
4
Time = t0
Depth Density Cone
dj 1.0 C^O)
da pa o.o
d3 p3 0.0
da Pa C4(0)
Time = t2
Depth Density Cone
d1-da(2) 1.0 Ci(2)
da(0)+d3£f pa Ca(2)
d3 p3 0.0
d3 Pa C4(0)
Time = t2 + At
Depth Density Cone
dx-da 1.0 Ci(2)
da pa Ca(2)
da P3 Ca(2)£f
d3 pa 0.0
    * Compaction:  SVOL Compacted = Vol(3) ^| - 1

                    Pore water volume SVOL squeezed
                    into water column.
Figure 36.  TOXIWASP sediment burial.
                               100

-------
value of "FAC" (Constant 53) from 0.1.

     The compression step does not affect any of the properties of the lower
bed segments,  in fact, even chemical concentration is unaffected at the
third bed segment and below.  Immediately following compression, however,
TOXIWASP renumbers the lower bed segments, dropping the old bottom segment
from the simulation.  Chemical layers, then, are transferred downward intact
and finally lost through the bottom.  The accumulated mass lost through the
bottom is saved and printed as variable BMASS(J), where "j" is the number of
the bottom segment.  Compression and renumbering completes the TOXIWASP
sedimentation cycle (or time step).

     For locations where sediment scour exceeds deposition, TOXIWASP responds
as in Figure 37.  As sediment and sorbed chemical erode from the bed, the top
bed segment (number 2) decreases in volume, depth, chemical mass, and sedi-
ment mass.  Its density remains constant.  When the sediment mass in the top
bed layer equals zero, then segment renumbering is triggered.  All the pro-
perties of the remaining bed segments, including chemical concentration,
remain unaffected by renumbering.  The new top bed segment, for example, has
the same depth, volume, sediment and chemical concentration as the old second
bed segment.  A new bottom bed segment is created with the same physical pro-
perties as the other bed segments.  Its chemical concentration, however, is
zero.  Renumbering and creation of a new bottom segment completes the TOXI-
WASP erosion cycle (or time step).

     As a consequence of the way TOXIWASP treats sedimentation, certain
constraints are imposed on the bed segment properties defined in the input
data set.  The density (or sediment concentration) of a top bed segment
(TYPEE = 3) must be greater than or equal to the density of the lower bed
segments (TYPEE = 4) within a vertical stack.  The volumes, depths, and den-
sities of lower bed segments must be constant within a vertical stack.  If
a smooth representation of burial is desired, the volumes and depths of lower
bed segments should be significantly smaller than the top bed layer.

     If lower bed segments are not included in a TOXIWASP network, then
chemical burial will not take place.  The upper bed layer will increase in
volume and depth with settling, or decrease in volume and depth with scour.
TOXIWASP prevents both complete filling of the water column and complete
erosion of the bed.

     Because sedimentation rates are calculated internally, the user need
only specify initial conditions in the bed.  TOXIWASP reads two parameters:
initial sediment concentrations and the ratio of fresh (or wet) weight to dry
weight (sometimes called "percent water").  If bulk densities are measured,
sediment concentrations are given by

     s =  PB ~ PW • n = PB ~ n                                    1 °8

where:

      PB = bulk density, kg (sediment and water)/L
                                     101

-------
    to
    V
    1
tl
V
                       1
JT
                                          1
                                     m
                to  + At
                                      1

Segment
1
3
3
4
Time = to
Depth Density Cone
di 1.0 0.0
djg pa C3(0)
d3 Pa C3(0)
da Pa C4(0)
Time = t2
Depth Density Cone
dt+da(0) 1.0 Ci(2)
0 p2 Ca(0)
d3 P3 C3(0)
d3 Pa C4(0)
Time = t2 + At.
Depth Density Cone
di+da(0) 1.0 C^Z!)
d3 Ps C3(S)
d3 P3 C4(2i)
da pa 0.0
Figure 37.  TOXIWASP sediment erosion.
                                102

-------
      PW = water density B 1 kg

Porosities can be derived from percent water by
         (P-1)  Pw
     n = -------------                                            109
         1  + (P-D P
where:

      ps = sediment density » 2.7, kg/Ls

      P = percent water, or ratio of wet weight to dry weight, kg (sediment +
          water)/kg (sediment)


1.5.3  The Chemical System

     A compound transported through a water body can undergo several physical
or chemical transformations.  It is convenient to group these into fast and
slow reactions.  Fast reactions have characteristic reaction times on the
same order as the model time step and are handled with the assumption of
local equilibrium.  Slow reactions have characteristic reaction times much
longer than the model time step.  These are handled with the assumption of
local first order kinetics using a lumped rate constant specified by the user
or calculated internally.  Both rate constants and equilibrium coefficients
must be estimated in most toxic chemical studies.  Although these can be
calculated internally from chemical properties and local environmental char-
acteristics, site-specific calibration or testing is desirable.

     TOXIWASP treats chemical in the water column and the bed as a reactive
substance governed by equations 99 and 101.  The major processes of advec-
tive and dispersive transport, chemical loading, benthic exchange, equili-
brium sorption, kinetic transformation, and bed sedimentation and erosion
are presented in the following sections.  An overview of the TOXIWASP chemi-
cal transport and redistribution processes is given in Figure 38.


1.5.3.1   Advective and Dispersive Transport

     Advective and dispersive flows carry chemical to adjacent water segments.
Standard WASP input for flows, dispersion coefficients, cross-sectional
areas, and characteristic lengths must be specified,  in addition, TOXIWASP
allows settling of sorbed chemical to lower water segments at the Stokes
velocity wg.  Spatially variable settling velocities can be specified using
parameter WS(ISEG) for appropriate water column segments.

     Advective and dispersive flows between vertically adjacent benthic seg-
ments carry the dissolved chemical concentration Cwji•  Advective flows can
be specified using parameter WS(ISEG) for appropriate subsurface benthic

                                     103

-------
            Process
            a) Mass Loading
            b) Advection
            c) Dispersion
            d) Settling
            e) Erosion
            f) Pore Water Diffusion
            g) Sediment Turnover
            h) Percolation
            i) Sedimentation
            j) Volatilization
                    Segment Types
                    1,2 to Water
                    1,2 Water-Water
                    1,2 Water-Water
                    1,2 Water-Water or Water-Bed
                    3 Surface Bed-Water
                    3,4 Surface Bed-Water or Bed-Bed
                    3 Surface Bed-Water
                    4 Bed-Bed or Bed-Water
                    4 Bed-Bed
                    1 Surface Water
            Figure 38.  TOXIWASP  chemical transport and redistribu-
              tion processes.
•segments.   Dispe'rsive flows in  the  bed are diminished by porosity and tortu-
 osity,  as  given by equation 102.  Diffusion coefficients, cross-sectional
 areas,  and characteristic  lengths can be specified as standard WASP input.
 Tortuosity must be included in  the  value specified for characteristic length:

      9.' .=£... t. .         •                                        110
 where:
      *i

      t.
characteristic mixing length input for benthic  segments i
  and j, L

  length between midpoints of benthic segments  i  and j, L

  average tortuosity of benthic segments i and  j,  Lwater/L
                                       104

-------
The average porosity of benthic segments i and j is automatically considered
by WASP in calculating pore water diffusion.  Porosities are calculated
internally from sediment concentrations and set to dry weight ratios:

     Hj = (P-1) . S                                                 111

where:

     P = sediment wet weight to dry weight ratio, M (sediment + water)/M
         (sediment)


1.5.3.2  Chemical Loading

     Chemical loading can occur from a variety of sources, including munici-
pal and industrial wastewater discharges; spills and leaks during chemical
manufacture, transport, and use; urban runoff and combined sewer overflow;
agricultural and mining runoff; precipitation and atmospheric deposition; and
subsurface runoff.  The largest source of uncertainty in many chemical simu-
lations is in the loading estimate.  Both the magnitude and variability may
be poorly characterized, and even the existence or location of a chemical
discharge may be in doubt.  These chemical loadings must be measured or
estimated and input into each segment as a steady or time-variable load using
standard WASP input.  Daily pesticide runoff loads can be simulated with a
watershed model and read in directly from an appropriately formatted nonpoint
source loading file.


1.5.3.3  Benthic Exchange

     Chemical exchange across the benthic interface can be caused by scour,
deposition, pore water advection, pore water diffusion, and equilibration
(sorption or desorption) with surficial sediments mixed upward through bio-
turbation.  These processes are included in the following functional form,
where positive loading is defined from surficial benthic segment i to water
segment j.

     WBcij = Aij ' (WR ' Si Csi * WD • Sj • Csj>
                    I               II
           + 2ij * Cwij + RBij ' (Cwi ~ Cwj)
                     I           I
           4-f     ^ p   _ v     r*  ^                              i 1 *>
           + Mj ' lSsi   Kpi *  wj;                              in^

where:

     Tji = sediment turnover rate,  M/T

     The scour and deposition of sorbed chemical C  is driven by sediment
scour and deposition (equation 104), discussed in an earlier section.  In
TOXIWASP, steady pore water flows input for a subsurface benthic segment us-
ing parameter WS(ISEG) are automatically routed through the overlying benthic
segments to the water column.  Positive (upward) flows carry dissolved benthic

                                     105

-------
concentration Cwi ,  whereas negative (downward)  flows carry dissolved water
concentration C • .   Diffusive pore water exchange with the water column
RBij ,as modified bY porosity and tortuosity, is given by equation 102.  Diffu-
sion coefficients,  cross-sectional areas, and characteristic lengths corrected
for tortuosity are  specified as standard WASP input.

     Finally, benthic exchange may result from direct sorption and desorption
of chemical between surficial sediment and overlying water.  These rates are
usually rapid.  When the active benthic layer is deeper due to physical
mixing or bioturbation, then sorptive exchange may be limited by the supply
of "new" solids to the surface.  Physical and biological mixing of sediment
and sorbed chemical from within the bed to the surface is represented in
TOXIWASP by a sediment turnover rate proportional to surficial pore water
dispersion:
         = fT ' RBij
where:
     fqi  = the spatially variable proportionality constant between pore
           water dispersion and sediment mixing (0-1)

     S .   = sediment concentration per unit pore water,  M/L
      X                                                   Vr

     Proportionality constants fT can be input to surficial bed segments
using parameter DSPSED(ISEG) .  For quiescent waters with little bioturbation,
fT approaches 0 and direct sorption onto surficial sediments is unimportant.
For benthic environments with high bioturbation rates controlling both pore
water dispersion and sediment mixing, fT approaches 1 .   For turbulent waters
with high scour and deposition, pore water dispersion and direct sorption
should diminish in importance.
1.5.3.4  Bed Sedimentation and Erosion

     Sorbed chemical in the bed migrates downward or upward with respect to
the bed surface in response to net sedimentation or erosion.  This is repre-
sented by the term Wged in governing equation 101.  Wsed is calculated inter-
nally following equation 107, and implemented by the scheme described in
Section 1.5.2.4.

     Dissolved chemical in the bed also migrates with the sedimentation
velocity.  If the density of the bed increases with depth,  compaction squeezes
pore water flow upward carrying dissolved chemical.  This is represented by
the term Qps in governing equation 101.  Qps is calculated  internally follow-
ing equation 106, and implemented by the scheme described in Section 1.5.2.4.
1.5.3.5  Equilibrium Sorption

     Dissolved chemical in water column and benthic segments interacts
with sediment particulates and biomass to form three phases—dissolved,

                                     106

-------
sorbed, and biosorbed.  The reactions can be written with respect to unit
volume of water:

     s' + Cw  -  Cg/n                                               114

     B' + Cw  ~  CB/n                                               115

     The forward reaction is sorption and the backward reaction is desorption.
These reactions are usually fast in comparison with the model time step,
and can be considered in local equilibrium.  The phase concentrations C^,
Cs, and CB are governed by the equilibrium partition coefficients KpS and
KpB (LAg):

             Cs/n     Cs
             CB/n     CB
     KPB •	r - T                                            117
           B  • Cw    Cw

     These equations give the linear form of the Freundlich isotherm,
applicable when sorption sites on sediment and biota are plentiful:



     C * = K   • Cl*.                                                  119
      B    pB *  itf

The partition coefficients depend upon characteristics of the chemical and
the sediments or biomass onto which sorption has occurred.  Many organic
pollutants of current interest are non-polar, hydrophobia compounds whose
partition coefficients correlate quite well with the organic fraction of the
sediment.  Rao and Davidson (1980) and Karickhoff et al. (1979) have deve-
loped empirical expressions relating equilibrium coefficients to laboratory
measurements leading to fairly reliable means of estimating appropriate
values.  The correlations used in TOXIWASP are

     K_  = K   . f                                                  120
     ^TDS    oc    ocs

     if   — if     f                                                  101
     NpB ~ Noc * rocB                                               'z'

where:

          = organic carbon partition coefficient,

     focs = organic carbon fraction of sediment

     focB = organic carbon fraction of biomass

The spatially variable values of focs are input using parameter OCS(ISEG).
The value of focB is input using constant OCB.  The value of Koc is input

                                     107

-------
using constant KOC.  If no KOC values are available, one is generated inter-
nally using the following correlation with the octanal-water partition
coefficient Kow (Lw/Loct):

     KOC = 0.41 . Kow                                             122

The value of Kow is input using constant ROW.

     The total chemical concentration is the sum of the three phase concen-
trations

     C = Cw . n + Cs . S + CB . B                                 123

Substituting equations 118 and 119, factoring, and rearranging terms gives
the dissolved fraction u1:

                            1
                   = 	                     124
              C      1  + Kps . S/n + Kp .  B/n

Similarly, the sorbed and biosorbed fractions are

                         K   . S/n
                   - -
                   1  +  KpS . S/n + KpB .  B/n
                                                                  125
                         K   . B/n
     cx3 = - = -                      126
             C     1 + KpS . S/n + KpB . B/n

These fractions are determined in time and space throughout a simulation
from the partition coefficients, internally, calculated porosities (equation
111), simulated sediment concentrations, and specified biomass concentrations,
The latter are input using parameter BIOMAS(ISEG) .

     Given the total concentration and the three phase fractions, the dis-
solved, sorbed, and biosorbed concentrations are uniquely determined:

     Cw = C . a,                                                  127

     Cg = C . ot2                                                  128

     CB = C . cc3                                                  129

These three concentrations have units of mg/L, and are named CHEM1 , CHEM2,
and CHBM3.  These can be expressed as concentrations within each phase:

     Cw - Cw/n                                                    1 30

     cs - cs/s                                                    131


                                     108

-------
     C=CB/B                                                    132

These concentrations have units of mg/I^, mg/kgs,  and mg/kgB, respectively,
and are named CHEMW, CHEMS, and CHEMB.

     In some cases, such as near discharges, the user may have to alter input
partition coefficients to describe the effect of incomplete sorption.  As
guidance, Karickhoff and Morris (1985) found that typical sorption reaction
times are related to the partition coefficient:


     V1 - °-03 • Kps                                            134

where:

     k,   =    desorption rate constant, hr~'

Thus, compounds with high, medium, and low K  's of 10 ,  10 , and 10 sorbing
onto 2% organic sediment should have reaction times of a  day, a half hour,
and seconds.

     TOXIWASP data specifications for sorption are summarized in Figure 39.


1.5.3.6  Kinetic Transformation

     Dissolved, sorbed, and biosorbed chemical in water column and benthic
segments are subject to several transformation processes.  Several variables
may be influencing each process, leading to a multi-term and often non-linear
lumped transformation rate.  To make this problem tractible, TOXIWASP uses
the strategy implemented in the original Exposure Analysis Modeling System
(Burns et al., 1982).  Each process is considered separately using mixed
second order kinetics:

     C + [E]k	> PJ^                                              134

where:

     [E]k = the intensity of environmental property affecting process "k,"
            such as light intensity or bacterial population

     P^   = transformation product for process k

The reaction rate Skc in mg/L-day for process k is:

     skc = kk • (E]k • Yk . C                                       135

where:

     kk = second-order rate constant for process k

     Yk = yield coefficient for process k


                                     109

-------
                     !   PARAMETERS
           8  B  BIDMAS
-------
     This local first order assumption is generally accepted to be accurate
for most chemicals at environmental concentrations.  The assumption is
invalid at concentrations near the solubility limit, however,  if the user
does not specify a maximum concentration CMAX(1) (in Data Group K), TOXIWASP
sets this limit at half the solubility or 10-5 molar, whichever is less, and
aborts the simulation if concentrations exceed this value.

     The individual transformation processes considered by TOXIWASP are
hydrolysis, photolysis, oxidation, and microbial degradation.  In addition,
volatilization is calculated and added to the transformation rate.  Good
discussions of these processes have been published, for example Smith et al.
(1977), Burns et al. (1982), Mill et al. (1982), Mabey et al. (1982), and
Mills et al. (1985).  The following sections summarize how TOXIWASP calculates
the local rate constant for each of these processes.  Input data requirements
are given for each process.  The general kinetic data required by TOXIWASP
are summarized in Figure 40.
Hydrolysis—

     Hydrolysis, or reaction of the chemical with water, is known to be a
major pathway for degradation of many toxic organics.  An example reaction is
shown in Figure 41.  The reaction can be catalyzed by hydrogen and hydroxide
ions.  Figure 42 illustrates the effects of acid, base, and neutral hydroly-
sis on parathion, base hydrolysis on carbaryl, neutral hydrolysis on chloro-
methane, and acid and base hydrolysis on 2,4-D.

     In TOXIWASP, hydrolysis by specific-acid-catalyzed, neutral, or
specific-base-catalyzed pathways is considered for dissolved, sorbed, and
biosorbed chemical:

     KH = (kl [H+] + k], + kl [OH~]) . a.
      H     a         nt>           1



        + (k| [H+] + k^ + kj^ [OH~]) . a3                        139

where:

              K,, = net hydrolysis rate constant, hr

          ka, kfc = specific acid and base catalyzed rate constants,
                   respectively, molar-1 • hr~1

              k  = neutral rate constant, hr

subscripts 1,2,3 = dissolved, sorbed, biosorbed phases

      a1, «2, 013 = fraction of chemical in each phase

TOXIWASP hydrolysis data specifications are summarized in Figure 43.  The
nine reaction coefficients can be specified as constants 10-18,  with

                                     111

-------
                      i   PARAMETERS
          1   T   TEMPMCJ)   Segnen-t temperature, °c

          2   d  DEPTHG(J)  Segment depth, ft

          18 KT  TDTKGCJ)   Total  first-order decay
                            rate (optional),   day"1

                        ^CONSTANTS


          47  SDLG  Solubility of chemical In water, ng/l
          48  ESDLG  Solubility temperature correction, kcal/g-nole
          43  MVTG  Molecular weight of compound


                 I«  KINETIC  FUNCTIONS


           1   TEMPN  Normalized temperature


           Figure 40.  TOXIWASP general kinetic data.
activation energy constants  1-9 left as 0.  If the user wants TOXIWASP to
determine rates based on the temperature-based Arrhenius function, then
non-zero activation energies specified as constants 1-9 will invoke the
following calculation for each rate constant k.

          (log A)  - 1000.E /4.58.T
    k = 10             a7     k                            140

where:

    A    =   pre-exponential, or "frequency factor"

    Ea   =   Arrhenius activation energy, kcal/mole

                                112

-------
          NEUTRAL
                                 HD
                          >  P  +  P
           ACID-
           CATALYSIS

           BASE-
           CATALYSIS
C  +  H2D
C  +  H2D
                  OH'
'>  P  +


->  P  +
                             EXAMPLE
           carbaryt   * water  +  naphthanol •»•  nethylanine   +
                                                    carbon dioxide
           Figure 41.   Hydrolysis.
     4.58 =    2.303  . R, cal/mole-°K

     Tk   =    water temperature,  °K

The log of the  frequency factor is specified using constants 10-15.  They
can be calculated from known activation energies and reaction rates
observed at a particular temperature:
                    1000 . E-
     log A =  log k +
                                       141
                    4.58 . TV
Thus, if a dissolved neutral hydrolysis rate of 2.38 . 10~^ hr~1 was observed
at 25°C, an activation energy of 20 kcal/mole would give a log frequency
factor of 11.03.  If this value is entered as constant 16, 20 kcal/mole is
entered as constant 4, and water temperatures of 25 and 20°C are specified
for two segments, then TOXIWASP will use equation 139 to calculate rate
constants of 2.38 . 10-4 hr~1 and 1.34  . 10~4 hr~1 , respectively.
                                   113

-------
                                                  O  Parathion
                                                  0  Carbaryl
                                                  O  Chloromethane
                                                  A  2.4-D (2-butoxyethyl
                                                     ester)
            Figure 42.   pH dependence of hydrolysis rate constants.
                                 Photolysis

     Photolysis  is  the transformation of a chemical due to absorption  of
light energy.  An example of several photochemical pathways is given in
Figure 44.  The  first order rate coefficient  for  photolysis can be calculated
from the absorption rate and the quantum yield for each phase:

-------
                         G!  PARAMETERS

          10   pDH   PDHG(J)-.   hydroxide  !on activity (avg)

          15   pH    PHG(J)i   hydrogen Ion activity (avg)


                          Hi CONSTANTS

          1,2,3      EBHGG,l)i Arrhenlus activation  energy,
                             base, kcal/mol

          4,5,6     EMHG(I,l)i Arrhenlus activation  energy,
                             neutral

          7,8,9     EAHG(I,l)i Arrhenius activation  energy,
                             acid

          13,14,15   K£HG
-------
         PHOTOCHEMICAL PATHWAYS  OF AN EXCITED MOLECULE.
         EXCITED MOLECULES DO NOT ALWAYS  CHEMICALLY REACT.
             Internal'
          conversIon,
      hv
   Absorption
                          A0 + heat
         Ao + nv'    Internal
                   convers ion
      Fluorescence
                      Intersystem crossing
                 A*                     »     A*
                            A0 -f Q*
                                                      A0 + heat
                                                              A0 + hv"
                                   Phosphorescence


                                        Chemical reaction
          Chemical  reaction
                 Ao
                 A*
                 Qo
                 Q*
ground  state of reactant molecule
excited state
ground  state of quenching molecule
excited state
 Figure 44.  Photolysis.
     ka^ = specific sunlight absorption  rate for phase i,  E/mole-hr
           or (E/L)/(mole/L)/hr

     a^  = fraction of chemical in phase i

The specific sunlight absorption rate  is the integral or summation over
all bandwidths of the average light  multiplied by the molar absorptivity
and the optical path:
      a = J IGk  . ek  . d . 2300 .  3600

                                    116
                                            143

-------
where:
     ek

     d


     2300



     3600
average light intensity of wavelength k, E/cnr-sec

molar absorptivity of wavelength k, m 10-L/cm . mole

optical path, cm/cm

  cm 3
L.lnIO

sec

hr
     TOXIWASP does not make the above calculations for the first order
rate coefficient under reference light conditions.  The user must supply
this rate coefficient, calculated or measured for near surface waters
during cloudless conditions.  TOXIWASP extrapolates this coefficient to
ambient light conditions with the following calculation.
                     [L] • I *pi
                                                     144
where:
     [L]  =    fraction of reference light IQ in segment (Im/lQ)

     <|>p^  =    reaction yield fraction for chemical in phase i

The reference light fraction in a segment accounts for spatially-variable
light extinction, cloud cover, latitude changes, and surface light
variability:
     [L]
Im                        I0(t)
— . (1-0.056.CQ) . Lc . (	
145
where:
  0.056
average light intensity within water segment, E/cm -sec

surface light intensity, E/cm -sec

cloud cover, tenths of sky (1-10)

average cloud reduction factor

latitude correction factor, calculated internally


                      117

-------
Light extinction is calculated with the integrated Beer-Lambert formulation:
                                                                    146
               -d.Ke.D


     I0    d . Ke . D

where:

     K    =    spatially variable light extinction coefficient, m~1

     D    =    depth of water segent, m

The time variable surface light relative to the reference light is input as
time function LIGHTN.  This can be used to represent diurnal or seasonal
changes.  TOXIWASP photolysis data specifications are summarized in Figure
45.

                                Oxidation

     Chemical oxidation of organic toxicants in aquatic systems can be a
consequence of interactions between free radicals and the pollutants.  Free
radicals can be formed as a result of photochemical reactions.   Free radicals
that have received some attention in the literature include alkylperoxy
radicals, RO2«; OH radicals; and singlet oxygen.

     In TOXIWASP, oxidation is modeled as a general second-order process for
dissolved, sorbed, and biosorbed chemical:
     [R02] . I k0 . a±                                              147
            i=1

where:

     K    =    net oxidation rate constant, hr~1

               molar concentration of oxidant, moles/L

     k1   =    second order oxidation rate constant for chemical phase i,
               L/mole-hr

     Because of the large number of alkylperoxy radicals that potentially
exist in the environment, it would be impossible to obtain estimates of kox
for each species.  Mill et al. (1982) propose estimation of a rate coeffi-
cient using t-butyl hydroperoxide as a model oxidizing agent.  They argue
that other alkylperoxides exhibit similar reactivities to within an order of
magnitude.  The three second-order rate coefficients are input to TOXIWASP
using KOXG(I), constants 22-24.

     In addition to estimating a rate coefficient,  an estimate of free radi-
cal concentrations must be made to completely define the expression for free

                                     118

-------
                         PARAMETERS
          17   Ke  CMPETG
-------
In such cases, the concentrations cited above are appropriate in only the
near-surface zones of water bodies.  The molar oxidant concentrations are
input to TOXIWASP using parameter OXRADG(ISBG).
                          Bacterial Degradation

     Bacterial degradation, sometimes referred to as microbial transformation,
biodegradation or biolysis, is the breakdown of a compound by the enzyme
systems in bacteria.  Examples are given in Figure 46.  Although these trans-
formations can detoxify and mineralize toxins and defuse potential toxins,
they can also activate potential toxins.

     Two general types of biodegradation are recognized—growth metabolism
and cometaboliSKI.  Growth metobolism occurs when the organic compound serves
as a food source for the bacteria.  Adaptation times from 2 to 50 days are
generally required.  Bacterial adaptation is faster for chronic exposure and
higher microbial poulations.  Adaptation is slower for low populations or
when easily degradable carbon sources are present.  Following adaptation,
biodegradation proceeds at fast first-order rates.  Cometabolism occurs when
the organic compound is not a food source for the bacteria.  Adaptation is
seldom necessary, and the transformation rates are slow compared with growth
metabolism.

     In TOXIWASP, biodegradation is limited to cometabolism.  It is assumed
that bacterial populations are unaffected by the presence of the compound at
low concentrations.  Second-order kinetics for dissolved, sorbed, and bio-
sorbed chemical in the water column and the bed are considered:
     KBW  "    Pbac ' fB • i kBw • ai                               148
               P      f    Y V1-    n                                149
               pbac * rB ' 2. XBS * ai                               14y
where:

     Kg^  =    net biodegradation rate constant in water segment, hr

     Kg^  =    net biodegradation rate constant in benthic segment, hr

     ki^  =    second order biodegradation rate constant for phase i in
               water segments, ml/cell-hr

     ki^  =    second order biodegradation rate constant for phase i in
               benthic segments, ml/cell-hr

     pbac *    bacterial population density in segment, cell/ml

     fg   =    fraction of population actively degrading organic compound

                                     120

-------
                 (Potential Toxin)
                  O(CH2)3COOH
                        r-CI
                                              (Less Toxic Substance)
                                                       OH
                                                            r- Cl
                 Cl
                  OCH2CH2OS03H
                        -Cl
                 Cl
            (Potential Toxin)
                                       Cl
          Figure 46.  Microbial transformations of  toxic chemicals
            (Alexander 1980).
     TOXIWASP biodegradation data specifications are summarized  in Figure
47.  The three second order  rate  constants for water and for bed segments
can be specified as constants 25-27 and 31-33.  Temperature correction
factors can be left at  0.  If the user wants TOXIWASP to correct the  rate
constants for ambient segment temperatures, then nonzero temperature
correction factors specified as constants 28-30 and 34-36 will invoke the
following modification  for each rate constant kg.
kBw(T)

kBs(T)
QT£
   (T-20J/10

   (T-20)/10
                                                                      150

                                                                      151
                                      121

-------
                      i  PARAMETERS
            6     BACTDGCJ)   Bacterial population
                                   cells/ml  (water)
                                   cells/lOOg (bed)

            7     ACBACCJ)   Active  fraction
                              of  bacteria
                     H«  CONSTANTS
          25,26,27  KBACWGG,!)  Water-column rate
                                   constant,  nl/cell

          28,29,30  QTBAVGCU)  Temperature  correction
                                   factor

          31,32,33  KBACSG  Benthlc rate constant,
                                   ml/cell-hr

          34,35,36  QTBASG     Temperature correction
                                factor

          Figure 47.  TOXIWASP bacterial degradation parameters.
where:

    QTW  =    "Q-10" temperature correction factor for biodegradation in
             water

    QTS  =    "Q-10" temperature correction factor for biodegradation in
             benthic segments

    T    =    ambient temperature in segment,  °C

The temperature correction factors represent the increase in the biodegra-
dation rate constants resulting from a 10°C temperature increase.  Values
in the range of 1.5 to 2 are common.
                               122

-------
     Total bacterial populations for water and benthic segments are input
using parameter BACTOG(ISEG).  Typical population size ranges  are  given
in Table 14.  Note that input units for benthic segments are cells/100 g
dry weight.  These are corrected to cells/ml internally.  The  total
population counts are reduced by the spatially variable active bacterial
fraction, input through parameter ACBAC(ISEG).
      TABLE 14.  SIZE OF TYPICAL BACTERIAL POPULATIONS IN  NATURAL WATERS
     Water Body Type
Bacterial Numbers (cells/ml)
Ref.
Oligotrophic Lake

Mesotrophic Lake

Eutrophic Lake

Eutrophic Reservoir

Dystrophic Lake

Lake Surficial Sediments

40 Surface Waters

Stream Sediments

Rur River (winter)
  50 - 300

 450 - 1,400

2000 - 12,000

1000 - 58,000

 400 - 2,300

8x109 - 5x10*0 cells/g dry wt

 500 - 1x106

  107 - 108 cells/g

   3x104
a

a

b

c

d
References:

     aWetzel (1975).  Enumeration techniques unclear.

     kparis jst al^. (1981).  Bacterial enumeration using plate counts.

     cHerbes & Schwa11 (1978).   Bacterial enumeration  using plate counts.

     ^Larson et al. (1981).   Bacterial enumeration using plate counts.
                                     123

-------
     Environmental factors other than temperature and population size can
limit bacterial rates.  Potential reduction factors must be considered
externally by the user, and input through parameter ACBAC(ISEG).  Nutrient
limitation can be important in oligotrophic environments.  The following
reduction factor was used by Ward and Brock (1976)  to describe phosphate
limitation of hydrocarbon degradation:

                 0.0277 . CpQ4
     fpo4 =    	                                    152
               1 + 0.0277 .
where:

     CPO4 =    dissolved inorganic phosphorus concentration,  ug/L

Low concentrations of dissolved oxygen can cause reductions in biodegradation
rates.  Below DO concentrations of about 1 mg/L, the rates start to decrease.
When anoxic conditions prevail, most organic substances are biodegraded more
slowly.  Because biodegradation reactions are generally more difficult to
predict than physical and chemical reactions, site-specific calibration be-
comes more important.  TOXIWASP allows several methods to correct rates to
reflect field data.


                              Volatilization

     Volatilization is the movement of chemical across the air-water inter-
face.  The dissolved neutral concentration attempts to equilibrate with the
gas phase partial pressure, as illustrated in Figure 48.  The equation in
this figure shows that equilibrium occurs when the dissolved concentration
equals the partial pressure divided by Henry's Law Constant.   In most cases,
organic toxicants in the atmosphere are at much lower levels than partial
pressures equilibrated with water concentrations.  Consequently, volatiliza-
tion reduces to a first-order process with a rate proportional to the con-
ductivity and surface area divided by volume:


     K«   =    ky . —•• . ot-i — k*^ . ~—                               153
                    V              D

where:

     K    =    net volatilization rate constant, hr~1

     kv   =    conductivity of the chemical through the water segment, m/hr

     A    =    surface area of water segment, m
      S

     V    =    volume of the water segment, m^

     D    =    average depth of the segment, m
                                    124

-------
                         -	k*   f p  _
                                  D    V^
              Cw   =  DISSOLVED  CONCENTRATION, ng/l

              P   = PARTIAL PRESSURE, atn

              H   = HENRY'S LAW  CONSTANT,

              D   = DEPTH,  n

              kv  = RATE  CONSTANT,  n/hr  (conductivity)

           Figure 48.  Volatilization.
     ot
               dissolved fraction of the chemical
     The value of ky, the conductivity, depends on the intensity of
turbulence in a water body and in the  overlying atmosphere.  Mackay and
Leinonen (1975) have discussed conditions under which the value of kv is
primarily determined by the intensity  of turbulence in the water.  As the
Henry's Law coefficient increases,  the conductivity tends to be increasingly
influenced by the intensity of turbulence in water.  As the  Henry's Law
coefficient decreases, the value of the conductivity tends to  be increasingly
influenced by the intensity of atmospheric turbulence.

     Because Henry's Law coefficient generally increases with  increasing
vapor pressure of a compound and generally decreases with increasing
solubility of a compound, highly volatile low solubility compounds are
most likely to exhibit mass transfer limitations in water and  relatively
                                   125

-------
nonvolatile high solubility compounds are more likely to exhibit mass
transfer limitations in the air.  Volatilization is usually of relatively
less magnitude in lakes and reservoirs than in rivers and streams.

     In cases where it is likely that the volatilization rate is regulated
by turbulence level in the water phase, estimates of volatilization can
be obtained from results of laboratory experiments.  As discussed by Mill
et al. (1982), small flasks containing a solution of a pesticide dissolved
in water that have been stripped of oxygen can be shaken for specified
periods of time.  The amount of pollutant lost and oxygen gained through
volatilization can be measured and the ratio of conductivities (KVOB) for
pollutants and oxygen can be calculated.  As shown by Tsivoglou and Wallace
(1972), this ratio should be constant irrespective of the turbulence in a
water body.  Thus, if the reaeration coefficient for a receiving water body
is known or can be estimated and the ratio of the conductivity for the pollu-
tant to reaeration coefficient has been measured, the pollutant conductivity
can be estimated.

     In TOXIWASP, the dissolved concentration of a compound in a surface
water column segment can volatilize at a rate determined by the two-layer
resistance model (Whitman, 1923), where the conductivity is the reciprocal
of the total resistance:

     kv        (RL + RG)-1                                          154

where:

     RL   =    liquid phase resistance, hr/m

     RQ   =    gas phase resistance, hr/m

     The two-resistance method assumes that two "stagnant films" are bounded
on either side by well mixed compartments.  Concentration differences serve
as the driving force for the water layer diffusion.  Pressure differences
drive the diffusion for the air layer.  Prom mass balance considerations, it
is obvious that the same mass must pass through both films, thus the two
resistances combine in series.  There is actually yet another resistance
involved, the transport resistance between the two interfaces, but it is
assumed to be negligible.  This may not be true in two cases:  very turbulent
conditions and in the presence of surfaceactive contaminants.  Although this
two-resistance method, the Whitman model, is rather simplied in its assump-
tion of uniform layers,'it has been shown to be as accurate as more complex
models.  Laboratory studies of volatilization of organic chemicals confirm
the validity of the method as an accurate predictive tool (Burns et al.,
1982).

     In TOXIWASP, the liquid phase resistance to the compound is assumed to
be proportional to the transfer rate of oxygen, which is limited by the
liquid phase only:
                                    126

-------
     RL   =    	                                           155
where :

     KO2  =    temperature corrected reaeration velocity, m/hr

     MW   =    molecular weight of the compound, g/mole

     32   =    molecular weight of oxygen, g/mole

If a measured proportionality factor KVOG is available, it is used in
place of /3 2/MW .  The gas phase resistance to the compound is assumed
to be proportional to the transfer rate of water vapor, which is limited
by the gas phase only:

                        1
     R    =    - • ------                                    156
                H  . WAT . /T8/MW
               RTk

where:

     WAT  =    water vapor exchange velocity, m/hr

     18   =    molecular weight of water, g/mole

     H    =    Henry's Law constant, atin-m^/mole

     R    =    ideal gas constant = 8.206 x 1 0~5 m3-atm/mol°K

     Tfc   =    water temperature, °K

The reaeration and water vapor exchange velocities vary with stream reach
and time of year.  They can be calculated using one of several empirical
formulations .

     TOXIWASP calculates flow-induced reaeration based on the Covar method
(Covar, 1976).  This method calculates reaeration as a function of velocity
and depth by 6ne of three formulas, Owens, Churchill, or O'Connor-Dobbins,
respectively:

     K2Q  =    0.276 . v°'67 . D~°'85                               157

     K2Q  =    0.148 . v°*969 . D~°'673                             158

or        =    0.164 . V0'5 . D~°*5                                 159
where:

     V    =    average segment velocity, ft/sec

                                     127

-------
     D    =    average segment depth, ft

     K20  =    reaeration velocity at 20°C, m/hr

The Owens formula is automatically selected for segments with depth less than
2 feet.  For segments deeper than 2 feet, the O'Connor-Dobbins or Churchill
formula is selected based on a consideration of depth and velocity.  Deeper,
slowly moving rivers require O'Connor-Dobbins;  moderately shallow, faster
moving streams require Churchill.

     Whenever the volatilization rate is calculated during a simulation,
wind-induced reaeration is determined by

     K20  =    0.0046 . W + 0.00136 , w2                            160

where:

     W    =    time-varying windspeed at 1 0 cm above surface, m/sec

A minimum value of 0.02 m/hr is imposed on K20.  Windspeed affects reaeration,
then, above 6 m/sec.  The reaeration velocity used to compute volatilization
is either the flow-induced reaeration or the wind-induced reaeration,  which-
ever is larger.  Segment temperatures are used to adjust K20 by the standard
formula
     K02  =
K20 * 1.024(T~20>)                                    161
The water vapor exchange velocity used in R^ is calculated using wind speed
and a regression proposed by Liss (1973):

     WAT  =    0.1857 + 11.36 .  W                                   162

where:

     W    =    wind speed at 10 cm above surface,  m/sec

Wind speed measured above 1 0 cm  must be adjusted to the 10-cm height by the
user assuming a logarithmic velocity profile and a roughness height of 1  mm
(Israelsen and Hanson, 1962):

     W    =    Wz . log (0.1/0.001)/log (z/0.001)                    163

where:

     Wz   =    wind speed at height z, m/sec

     z    =    measurement height, m

     Although there are many calculations involved in determining volatili-
zation, most are performed internally using a small set of data.  TOXIWASP
volatilization data specifications are summarized in Figure 49.   Not all of
the constants are required.  If Henry's Law constant is unknown, it will be

                                     128

-------
                         ! PARAMETERS
         3   v    VELQC(J)    Average water velocity,
                              ft/sec

         4   V   WINDGCJ)     Average wind speed  @  10 en,
                              n/sec
                         J  CONSTANTS
44 H
45
46
49
50
HENRYG
VAPRG
KVDG
EVPRG
EHENG
                               Henry's  Law constant,
                               atn-n3/nol

                               Vapor pressure of  chenlcal,
                               torr

                               Ratio of liquid resistance  to
                               reaeratlon rate (measured)

                               Molar heat of vaporation,
                               kcal/nole

                               Tenperature  correction for H,
                               kcal/nole
                    L KINETIC FUNCTIONS


         E       VINDN        Normalized wind speed

         Figure 49.   TOXIWASP volatilization data.
calculated internally from vapor pressure and  solubility,  if KVOG is not
measured,  it will be calculated internally from molecular weight.
1.5.4  Heavy Metals

     Although TOXIWASP was designed explicitly for organic chemicals, it
can be  used to simulate metals with judicious specification of certain
key parameters.  Because of  the inherent complexity of metals behavior,
site-specific calibration is required.  Physical processes affecting the
fate of metals in rivers are illustrated in Figure 50.
                                  129

-------
         SORPTION
         -DCSORPTION
         WITH SEDIMENTS
         Figure  50.  Processes  influencing the fate of metals in rivers
           (Mills  et al.  1985).
     Heavy metals in the aquatic environment can form soluble complexes with
organic and inorganic ligands, sorb onto organic and inorganic particulates,
and precipitate or dissolve (Figure 51).  Geochemical models such as MINTEQ
(Felmy et al., 1984) can be used to predict metal speciation for a set of
chemical conditions.  TOXIWASP lumps all soluble complexes with the free Lon
to give the dissolved metal concentration.  Precipitated metal is lumped with
all sorbed species to give particulate "sorbed" metal concentration.  A
spatially variable lumped partition coefficient Kp describes the two phases.
There is no general consistency in reported Kp values for particular metals
in the natural environment, so site-specific values should be used when pos-
sible.  Table 15 summarizes Kp values reported in Delos et al. (1984 ) for
eight metals.  These values are generally high, and are provided as a starting
                                     130

-------
                                            SOLUBLE COMPLEXES
                                            WITH ORGANIC LIGANDS
                                            SOLUBLE COMPLEXES
                                            WITH INORGANIC
                                            LIGANDS
                              ADSORBED SPECIES

                         • ADSORPTtON/COPRECIPITATION ON
                          HYDROUS IRON/MANGANESE OXIDES

                         •ION EXCHANGE

                         • ADSORPTION TO CLAYS. SILICATES.
                          OTHER MINERALS

                         • ADSORPTION TO ORGANIC SOLIDS
                  Figure 51.  Speciation  of metals in aquatic
                    environment  (Felmy  et al.  1984).
point for the user.   Spatially-variable Kp values can be input  to TOXIWASP
using parameter OCS(ISEG).   Constant KOC should be set to  1.0.
1.5.5  Summary of Data  Requirements

     TOXIWASP adds  several specific transport and transformation  processes
to the basic WASP mass  transport equations.  These additional processes
require the specification of several environmental parameters, chemical
constants, and environmental time functions, which were discussed in  the
preceding sections.  This section provides a summary.

     The environmental  data required for a chemical simulation depend upon
which transformation processes  are important.  Table 16 gives the environmen-
tal properties influencing each process in TOXIWASP,and a range of expected
values.  For a series of simulations involving many compounds, approximate
values for all environmental properties should be specified.  For those pro-
cesses found to be most important, better estimates of the relevant environ-
mental properties can be provided in a second round of simulations.
                                      131

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TABLE 15.  SPECIATION OF PRIORITY METALS BETWEEN DISSOLVED AND ADSORBED
   PHASES AS A JUNCTION OF SUSPENDED SOLIDS CONCENTRATIONS IN STREAMS
Metal
Arsenic



Cadmium



Chromium



Copper



Lead



Mercury



Nickel



Zinc



SS(mg/L)
1
10
100
1000
1
10
100
1000
1
10
100
1000
1
10
100
1000
1
10
100
1000
1
10
100
1000
1
10
100
1000
1
10
100
1000
Kp(l/kg)
5.105
9.104
2.104
3.103
4.106
3.105
2.104
2.103
3.106
4.105
5.104
5.103
1.106
2.105
3.104
6.103
3.105
2.105
1.105
9.104
3.106
2.105
2.104
1.103
5.105
1.105
4.104
9.103
1 .106
2.105
t.1Q4
1.1 04
%Dissolved
70
50
30
24
20
25
30
40
25
20
17
15
50
30
25
14
75
30
10
1
25
30
30
45
70
50
20
10
40
30
17
10
%Adsorbed
30
50
70
76
80
75
70
60
75
80
83
85
50
70
75
86
25
70
90
99
75
70
70
55
30
50
80
90
60
70
83
90
                                  132

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      TABLE 16.  ENVIRONMENTAL PROPERTIES AFFECTING INTERPHASE TRANSPORT
                         AND TRANSFORMATION PROCESSES
Environmental Property
(1)
Sediment Concentrations:
Suspended, in mg/L
Benthic, in kg/L
Organic Carbon Fraction:
Suspended Sediment
Benthic Sediment
Sediment Settling Velocity,
in m/day: clays
fine silts
Bed Sediment Re suspension
Velocity, in cm/yr
Pore Water Diffusion, in cm^/sec
Benthos Mixing Factor
Surf icial Sediment Depth, in cm
Water Column Depth, in m
Water Column Temperature, in °C
Average Water velocity, in m/sec
Wind Speed at 1 0 cm, in m/sec
pH and pOH, Standard Units
Concentration of Oxidants, in
moles/L
Surface Light Intensity, in
Lang leys/day
Cloud Cover, tenths of sky
Light Extinction Coefficient,
in per meter
Active Bacterial Populations:
Suspended, in cells/ml
Benthic, in cells/1 OOg
Input Value
(2)
5-500
1.2-1.7
.01-. 10
.01-. 10
0-0.3
0.1-10
0-50
1 0-5-1 O-6
0-1
0.1-10
0.5-100
4-30
0-2
0-20
5-9
10-9-10-12
300-700
0-10
.1-5
103-106
103-106
Environmental Process
KD KS *V KH KO KP ^B
(3) (4) (5) (6) (7) (8) (9)
X X
X X
X X
X X
X
X
X
X
X
XX X
X X X X X
X
X
X
X
X
X
X
X
X
(3) Sorption; (4) Benthos-Water Column Exchange; (5) Volatilization; (6)
Hydrolysis; (7) Oxidation; (8) Photolysis; (9) Bacterial Degradation
                                    133

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     The chemical properties of each compound control that transformation
processes are important in a particular environment.   Table 17 summarizes
chemical properties influencing each process in TOXIWASP.   Although the model
allows specification of different rates for the dissolved, sorbed,  and bio-
sorbed chemical phases, such data are not generally available.  Measured rate
constants are often assigned to the dissolved chemical phase.   The  model also
allows specification of temperature correction parameters  for  each  process.
Such data are often difficult to find without special studies, and  need not
be input except for very hot or cold conditions, or where  seasonal  variability
is being studied.

     Time variable functions can be used to study diurnal  or seasonal effects
on pollutant behavior.  The five time-variable environmental forcing functions
are summarized in Table 18.  As shown, some of these time  functions are
multiplied by spatially variable parameters within TOXIWASP to produce t.Lme-
and spatially-variable environmental conditions.

     Although the amount and variety of data potentially used  by TOXIWASP is
large, data requirements for any particular simulation can be  quite small.
Usually only sorption and one or two transformation processes  will  signifi-
cantly affect a particular chemical.  To simulate the transport of  many
soluble compounds in the water column, even sorption can often be disregarded.
Indeed, for empirical studies -, all chemical constants, time functions, and
environmental parameters can be ignored except the user-specified transforma-
tion rate constant TOTKG(ISEG) and, if desired, the partition  coefficient-
organic fraction pair of KOC and OCS(ISEG).  Thus, TOXIWASP can be  used as a
first-order water pollutant model to conduct standard simulations of dye
tracers, salinity intrusion, or coliform die-off.  What is gained by the
second-order process functions and resulting input data burden is the ability
to extrapolate more confidently to future conditions.  The user must determine
the optimum amount of empirical calibration and process specification for
each application.
                                     134

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          TABLE 17.  BASIC CHEMICAL PROPERTIES AFFECTING INTERPHASE
                    TRANSPORT AND TRANSFORMATION PROCESSES
Variable Name
GENERAL
MWTG
SOLG
Chemical Property
Molecular weight
Solubility
Units
g/mole
mg/L
SORPTION
  ROW

  KOC
Octanol-water partition coefficient

Organic carbon partition coefficient
VOLATILIZATION
  HENRYG

  VAPRG

  KVOG
Henry's Law constant

Vapor pressure

Liquid phase volatilization/reaeration
  ratio
m3-atm/mole

torr
HYDROLYSIS
  KAHG(I)

  KBHG(I)

  KNHG(I)
Acid-catalysis rate constant for phase I     L/mole-hr

Base-catalysis rate constant for phase I     L/mole-hr

Neutral rate constant for phase I            hr~1
OXIDATION
  KOXG(I)
Second order rate constant for phase I
L/mole-hr
PHOTOLYSIS
  KDPG

  QUANTG(I)
Near surface, reference rate constant

Reaction yield for phase I
hr-1
BIODEGRADATION
  KBACWG(I)
Second order rate constant in water for      ml/cell-hr
  phase I
  KBACSG(I)         Second order rate constant in benthos for    ml/cell-hr
                      phase I
                                     135

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           TABLE 18.  TIME VARIABLE ENVIRONMENTAL FORCING FUNCTIONS
    Time Function
Parameter
Environmental Property
    TEMPN

    (Unitless)

or  (°C)


    WINDN


    (unitless)

or  (m/sec)
TEMPM(ISEG)

(°C)

(unitless)


WINDG(ISEG)


{m/sec)

(unitless)
    PHN            x    PHG(ISEG)

    (unitless)          (log activity)

or  (log activity)      (unitless)


    POHN           x    POHG(ISEG)

    (unitless)          (log activity)

or  (log activity)      (unitless)


    LIGHTN



    (unitless)
Water temperature (x,t)
°C

°C
Wind speed at 10 cm above
  surface (x,t)

(m/sec)

(m/sec)


Average pH (x,t)

(log activity)

(log activity)


Average pOH (x,t)

(log activity)

(log activity)
                     Average normalized light
                       intensity at water
                       surface (t)

                     (unitless)
                                    136

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                                  SECTION 2

                             WASPS USER'S MANUAL
2.1  OVERVIEW

     To run the WASPS or DYNHYD3 models, an input data set must be specified.
These data sets are catalogued into input data groups (formerly "card groups")
and are read into the programs in batch mode.  For convenience, the data sets
are separated according to subject matter.

     Each card group contains several "records" or lines.  Records are usually
one 80-space line, but in a few instances a record will constitute as many
lines as needed to complete the data group.  Records are always input sequen-
tially and each record begins on a new line.  Do not skip lines between
records unless a "blank" record is specifically instructed.  Likewise, do not
enter blank lines between data groups;  the models simply read from one line
to the next.

     The introduction in each section gives an overview for each of the data
group's subject matter.  The data group descriptions give detailed informa-
tion of all records and detailed definitions for all variables in that group.
The data group tables provide quick reference to record structure, variable
format, and definition.  The variable definition section supplies an alphabe-
tical listing with definitions for all  variables (of that particular model).

     This manual consists of a section for each of four models—the hydro-
dynamic model, the basic water quality model, the eutrophication model, and
the toxics model,  within each section, there is an introduction, description
of data groups, data group tables, and  variable definitions.  For the basic
water quality section, the variable definitions are provided for the common
blocks only.  Within the eutrophication and toxics sections, only those data
group descriptions specifically pertaining to EUTRWASP or TOXIWASP are pro-
vided.
2.2  THE HYDRODYNAMIC MODEL

2.2.1  Introduction

     This section describes the input required to run the DYNHYD3 hydro-
dynamics program.  To arrange the input into a logical format,  the data are
divided into eight groups:


                                     137

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        A      -     Simulation Control
        B      -     Printout Control
        C      -     Hydraulic Summary
        D      -     Junction Data
        E      -     Channel Data
        F      -     Inflow Data
        G      -     Seaward Boundary Data
        H      -     Wind Data

     The following is a brief explanation of each data group.

     Data Group A consists of preliminary data, such as network parameters
(number of channels, number of junctions), simulation time step, and the
beginning and ending day of simulation.

     Data Group B allows the user to specify printing options.

     Data Group C is responsible for the storage of flows and volumes.  The
stored file created by this-data group can be used as an input data set for
the water quality model.

     Data Group D describes the model network and initial conditions at each
junction.

     Data Group E describes the model network and initial conditions at each
channel.

     Data Group F lists all inflows into the model system.  Flows may be
constant or variable.  Inflows are considered to be negative, and outflows
are positive.

     Data Group G describes the seaward boundaries.  The maximum number of
seaward boundaries has been set to five, but can be respecified by the user.
There are two types of tidal inputs:  average tide, and variable tide.  The
average tide is a smooth, repetitive curve that fits the equation:

          Head = A1 + A2 sin(ut)                                 (160)

                      Aj sin(2o)t)

                      A4 sin(3u>t)

                      A5 cos(u)t)

                      A6 cos(2wt)

                      A7 cos(3(*)t)

The variable tide is a 1/2 sine wave that has highs and lows as specified by
the data set.
                                    138

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     Data Group G has three options for defining the tidal cycle,  option 1,
the user specifies the coefficients in equation 160 for an average tide.
Option 2, the user specifies data and the model calculates the coefficients
in equation 160 which define the average tide.  Option 3, the user specifies
the highs and lows of a variable tide and the model fits a half sine curve
through the points.

     Data Group H lists wind speeds and directions.
2.2.2  DYNHYD3 Data Group Descriptions

2.2.2.1  DATA GROUP A:  Simulation Control—

                                 VARIABLES

     Records 1, 2—Model Identification
          ALPHA(J)
alphanumeric characters to identify the system,
date and run number.
     Record 3—Data Group Identification

          HEADER    =
alphanumeric characters to identify the data
group, "PROGRAM CONTROL DATA."
     Record 4—Simulation Control Data
          NJ

          NC

          NCYC



          DELT

          ICRD
          ZDAY

          ZHR

          ZMIN

          EDAY

          EHR
number of junctions in the model network.

number of channels in the model network.

total number of time steps for execution (number
of cycles).  If equal to zero, the model will
compute NCYC internally (cycles).

time interval used in execution (sec).

file containing the initial conditions for
junctions and channels.  If equal to 0 or 5, data
set is read.  If equal to 8, a file 8, previously
created by subroutine RESTART, is read.

beginning day of simulation (day).

beginning hour of simulation (hr).

beginning minute of simulation (min).

ending day of simulation (day).

ending hour of simulation (hr).

            139

-------
          EMIN      =    ending minute of simulation (min).

ALPHAd), ALPHA(2), and HEADER assist the user in maintaining a  log of
computer simulations, but are not actually used by the DYNHYD3 program.
                          ORGANIZATION OF RECORDS

     Each record in Data Group A is input once;  therefore,  Data Group A
consists of 4 lines of data.  Data Group B starts on the 5th line (no blank
line).
2.2.2.2  DATA GROUP B:  Printout Control—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters to identify the data
                         group,  "PRINTOUT CONTROL DATA."

     Record 2—Output Control Information

          PPRINT    =    time for printout to begin (hr).

          PINTVL    =    time interval between printouts  (hr).

          NOPRT     =    number of junctions for which printouts (results)
                         are desired, can be 1  through NJ.

     Record 3—List of Junctions

          JPRT(I)   =    junction number for results to be  printed.

There will be NOPRT entries in Record 3 (I = 1  to NOPRT).


                           ORGANIZATION OF RECORDS

     Records 1 and 2 are entered once.  Record 3 may contain several  liness
depending upon NOPRT.  One line may contain up to 16 entries.   Therefore,
if NOPRT is equal to 1-16, then Record 3 will consist of  1  line.  If  NOPRT
is equal to 17-32, then Record 3 will consist of 2 lines, etc.   The  total
number of lines for Data Group B equals 2 + (1  + INT((NOPRT-1)/16))).
                                     140

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2.2.2.3  DATA GROUP C:  Hydraulic Summary—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters to identify the data group
                         "Summary Control Data."

     Record 2--Summary Control Data

          SUMRY     =    option number that controls how the hydrodynamic
                         scratch file (file 2)  is processed to create a
                         permanent summary file (file 4)  for the water
                         quality model to read.  If equal to zero,  then no
                         summary file will be created,  if equal to 1 , an
                         unformatted file will  be created, which is unlegi-
                         ble,  but quicker and saves space.  If equal to 2, a
                         formatted file will be created which is legible.

          TDAY      =    day to begin storing parameters to file (day).

          THR       =    hour  to begin storing  parameters to file (hr).

          TMIN      =    minute to begin storing parameters to file (min).

          NODYN     =    number of hydraulic time steps per quality time
                         steps desired.


                          ORGANIZATION OF RECORDS

     Records 1 and 2 are entered once.  Therefore, Data Group C consists of
two lines.


2.2.2.4  DATA GROUP D:  Junction Data—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters to identify the data group,
                         "JUNCTION DATA."

     Record 2—Junction Parameters

          JJ        =    junction number.

-------
          Y(J)      »    initial head (or surface elevation)  in reference to
                         a horizontal model datum,  at junction JJ (ft).

          SURF(J)   =    surface area at junction JJ (ft2).

          BELEV(J)  =    bottom elevation above (or below)  the horizontal da-
                         tum plane (usually taken to be mean  sea level)  (ft).

          NCHAN(J,I)=    channel number entering junction JJ.   Maximum number
                         of channels entering any one junction is five (I =
                         1-5).  Start list with lowest channel number.
                          ORGANIZATION OF RECORDS

     Record 1  is entered once in Data Group D.   Record 2 is  entered NJ times
(NJ = number of junctions).  One line is used for each junction.   Therefore,
Data Group D consists of 1 + NJ lines.
2.2.2.5  DATA GROUP E:  Channel Data—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters to identify the data group,
                         "CHANNEL DATA."

     Record 2—Channel Parameters

          NN        =    channel number.

          CLEN(N)   =    length of channel NN (ft).

          B(N)      »    width of channel NN (ft).

          R(N)      «    hydraulic radius or depth  of channel NN (ft).

          CDIR(N)   =    channel direction, or angle in degrees measured from
                         true north.  The channel direction points in the
                         direction of positive flow, from the higher junction
                         number to the lower junction number (degrees)

          CN(N)     •    Manning roughness coefficient for channel NN (sec
                         . m~1/3).  Ranges from 0.01 to 0.08.

          V(N)      «    the initial mean velocity  in channel NN, ft/sec.

          NJUNC(N,1)=»    the connecting junction at the lower end of channel
                         NN.

                                     142

-------
          NJUNC(N,2)=    the connecting junction at the higher end of
                         channel NN.

     A channel may only connect two junctions.  Therefore,  only NJUNC(N,1)
and NJUNC(N,2) exists.
                          ORGANIZATION OF RECORDS

     Record 1 is entered only once in Data Group E.  Record 2 is  entered NC
times (NC = number of channels).  One line is used for each channel.
Therefore, Data Group E consists of 1 + NC lines.
2.2.2.6  DATA GROUP F:  Inflow Data—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters to identify the data
                         group and type of inflows, "CONSTANT INFLOW DATA."

     Record 2—Constant Inflow Number

          NCFLOW    =    the number of constant inflows that will be read.

     Record 3—Constant Inflow Data

          JRCF(I)   =    junction that will be receiving the following
                         inflow.

          CFLOW(l)  =    the value of the constant inflow into junction
                         JRCF(I) (ft3/sec).  Value will be negative for
                         inflow, positive for outflow.

     Record 4—Data Group Identification

          HEADER    =    alphanumeric characters to identify the type of
                         inflows, "VARIABLE INFLOW DATA."

     Record 5—Variable Inflow Number

          NVFLOW    =    the number of variable inflows that will be read
                                                                 •
     Record 6--Variable Inflow Breaks

          JRVF(I)   =    junction that will be receiving the following
                         variable inflows.

-------
          NINCR(I)  =    number of data points (breaks)  for variable
                         inflow into junction JRVP(I).

     Record 7—Variable Inflow Data

          DAY(K)    =    day of VFLOW(I,K) (day).

          HR(K)     =    hour of VFLOW(I,K)  (hr).

          MIN(K)    =    minute of VFLOW(I,K) (min).

          VFLOW(I,K)=    value of the variable flow corresponding to DAY(K),
                         HR(K), and MIN(K) (ft3/sec).   Value will be negative
                         for inflow, positive for outflow.


                          ORGANIZATION OF RECORDS

     Records 1  and 2 are entered once in Data Group F.  Record 3 is entered
NCFLOW times with one junction number and one flow per line.  Records 4 and
5 are entered once in Data Group F.  Record  6 is  entered NVFLOW times, but
not consecutively.  Record 6 should be entered (one junction, one number of
breaks), then Record 7 with 4 flows per line until NINCR(I)  flows have been
entered.  Then Record 6 entered again followed by Record 7.   The number of
lines for Data Group F is equal to

          4 + NCFLOW + NVFLOW (1 + INT((NOPRT-1)/16))


2.2.2.7  DATA GROUP G:  Seaward Boundary Data—


                                 VARIABLES

     Record 1—Data Group Identification

          HEADER    =    alphanumeric characters  to identify the data
                         group, "SEAWARD BOUNDARY DATA."

     Record 2—Seaward Boundary Number

          NSEA      =    number of seaward boundaries  on model network.

          If NSEA >0, proceed to Record 3.  If NSEA =  0, go  to Data
          Group H.

     Record 3—Seaward Boundary Parameters

          JJ        =    junction number receiving the tidal input.

          NDATA     =    number of data points (or breaks) to calculate the
                         coefficients to the curve:

-------
     NTV(J)
     MAXIT
     MAXRES
     TSHIFT
     PSHIFT
     YSCALE
     Head = A1(J,1) + A2(J,2) sin(wt)
                    + A3(J,3) sin(2ut)
                    + A4(J,4) sin(3u)t)
                    + A5(J,5) cos(wt)
                    + A6(J,6) cos(2o)t)
                    + A7(J,7) cos(3wt)

number of data points (breaks) used to describe
the variable tide.

maximum number of iterations allowed to calculate
average tide.

maximum error allowed in calculation of average
tide (calculates coefficients to describe tidal
cycle).

allows tidal cycle to be shifted on the time
scale.  Therefore, if all data have been entered
and error of 6.5 hours has been made in time scale,
one can enter 6.5 for TSHIFT (hr).  Usually equal
to zero.

allows tidal cycle to be shifted on the phase
angle scale (radians).  Usually equal to zero.

scale factor for observed heads, B(HEAD) = B(HEAD)
* YSCALE.
     If NTV(J) = 0 and NDATA >0, use Records 4 and 5 => calculates

     coefficients for average tide.

     If NTV(J) = 0 and NDATA = 0, use Records 4 and 6 => coefficients

     for average tide are given.

     If NTV(J) >), use Record 5 => variable tide is calculated.

Record 4—Tidal Parameters

     PERIOD(J) =    tidal period (hr).

     TSTART(J) =    starting time for tidal input (hr).

Record 5—Tidal Data

     DAY(I)    =    day corresponding to BHEAD(I) (day).

     HR(I)     =    hour corresponding to BHEAD(I)  (hr).

     MIN(I)    =    minute corresponding to BHEAD(I) (min).

                                ms

-------
          BHEAD(I)  =    tidal elevation (head) at time DAY(I), HR(I),
                         and MIN(I) (ft).

     Record 6—Coefficients

          A1(J,1)   =    1st Coefficient.

          A1(J,2)   =    2nd Coefficient

          A1(J,3)   =    3rd Coefficient.

          A1(J,4)   =    4th Coefficient.

          A1(J,5)   =    5th Coefficient.

          A1(J,6)   =    6th Coefficient.

          A1(J,7)   =    7th Coefficient.

     These coefficients describe the curve with the following equation:

          Head = A1(J,1) + A2(J,2) sin(wt)
                         + A3(J,3) sin(2wt)
                         + A4(J,4) sin(3uit)
                         + A5(J,5) cos(u>t)
                         + A6(J,6) cos(2o)t)
                         + A7(J,7) cos(3wt)


                          ORGANIZATION OF RECORDS

     As discussed in Section 2.2.1, three options for describing the tidal
cycle exists:  1) give coefficients for average tide, 2) calculate coefficients
for average tide, or 3) give highs and lows for variable tide.  For all
three options, records 1, 2, and 3 are entered once.  For Option 1 (NTV=0,
NDATA=0 => records 4 and 6):  Record 4 and Record 6 are entered once.

     For Option 2 (NTV=0, NDATA>0 => records 4 and 5):  Record 4 is entered
once, and Record 5 is entered as many times as needed with 4 tidal elevations
on each line.

     For Option 3 (NTV >0, NDATA = 0 => Record 5):  Record 5 is entered as
many times as needed with 4 tidal elevations on each line.

     The total number of lines is 2 + a set tor each of NSEA tidal boundaries.

     For Option 1, the set will include 1 + 1 + 1 + INT((NDATA-1)/4).

     For Option 2, the set will include 1+1+1.

     For Option 3, the set will include 1 + 1 + INT((NTV-1)/4).
                                    146

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2.2.2.8  DATA GROUP H:  Wind Data—
     Record 1—Data

          HEADER


     Record 2—Wind

          NOBSW

     Record 3—Wind

          DAY(K)


          HR(K)


          MIN(K)


          WINDS(K)


          WDIR(K)
             VARIABLES

Group Identification

=    alphanumeric characters to identify the data group,
     "WIND DATA."

Data Number

=    number of wind data points (or breaks)

Data

=    day corresponding to the following wind speed
     and wind direction (day).

=    hour corresponding to the following wind speed
     and wind direction (hr).

=    minute corresponding to the following wind
     speed and wind direction (min).

=    wind speed measured at a distance of 10 meters
     above the water system (ft/sec).

=    wind direction measured at a distance of 10 meters
     above the water system.  Must be measured from
     True North (degrees).
                          ORGANIZATION OF RECORDS

     Records 1  and 2 are entered once for Data Group H.  Record 3 is entered
as many times as needed with 4 wind speeds on each line.  The total number of
lines in Data Group H is equal to 2 + (1  + INT((NOBSW-1)/4).
                                    147

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2.2.3  DYNHYD3 Data Group Tables




                      DATA GROUP A:  Simulation Control
RECORD
1,2

3
4










VARIABLE
ALPHA(J)

HEADER
NJ
NC
NCYC
DELT
ICRD
3)AY
ZHR
ZMIN
EDAY
EHR
EMIN
COLUMN
1-80

1-80
1-5
6-10
1 1-15
16-20
21-25
26-30
32-33
34-35
36-40
42-43
44-45
FORMAT
20A4

20A4
15
15
15
F5.0
15
F5.0
1X,F2.0
F2.0
F5.0
1X,F2.0
F2.0
SHORT DEFINITION
Two records to identify the system,
date, and run number.
Title: "PROGRAM CONTROL DATA"
Number of junctions in network.
Number of channels in network.
Total number of time steps.
Time interval used in solution (sec).
File containing initial conditions.
Beginning day of simulation (day) .
Beg. hour of simulation (hr).
Beg. minute of simulation (min).
Final day of simulation (day) .
Final hour of simulation (hr).
Final minute of simulation (min) .
                      DATA GROUP B:  Printout Control
RECORD
1
2


3





VARIABLE
HEADER
FPRINT
PINTVL
NOPRT
JPRT(1 )

JPRT(2)
.
•
JPRT( NOPRT)
COLUMN
1-80
1-10
1 1-20
21-25
1-5

6-10
.
76-80
1-5
FORMAT
20A4
F10.0
F10.0
15
15

15
.
•
15
SHORT DEFINITION
Title: "PRINTOUT CONTROL DATA"
Time used for first printout (hr) .
Time interval between printout (hr) .
Number of junctions to be printed.
First junction number for results to
be printed.
Second junction number for results
to be printed.
(Use as many 80-space lines as
needed to enter NOPRT values)
                                    148

-------
DATA GROUP C: Hydraulic Summary
RECORD
1
2





VARIABLE
HEADER
SUMRY
TDAY
THR
TMIN

NODYN
COLUMN
1-80
1-5
6-10
12-13
14-15

16-20
FORMAT
20A4
15
F5.0
1X,F2.0
F2.0

15
SHORT DEFINITION
Title - "Summary Control Data"
= 0, 1, or 2. See definition.
Day to begin storing parameters (day) .
Hour to begin storing parameters (hr) .
Minute to begin storing parameters
(min) .
No. time steps/ quality time steps.
DATA GROUP D: Junction Data
RECORD
1
2









NJ







VARIABLE
HEADER
JJ
Y(J)
SURF(J)
BELEV(J)
NCHAN(J,1)
NCHAN(J,2)
NCHAN(J,3)
NCHAN(J,4)
NCHAN(J,5)
•

JJ
Y(J)
SURF(J)
BELEV(J)
NCHAN(J,1)
NCHAN(J,2)
NCHAN(J,5)
COLUMN
1-80
1-5
6-15
16-25
26-35
36-40
41-45
46-50
51-55
56-60
•


.
.
.



FORMAT
20A4
15
F10.0
F10.0
F10.0
15
15
15
15
15
•


.
.
.



SHORT DEFINITION
Title: "JUNCTION DATA"
J = 1
Junction number.
Head at junction J (ft).
Surface area at junction J (ft2).
Bottom elevation at junction J (ft).
First channel entering junction J.
Second channel entering junction J.
.
.
Fifth channel entering junction J.
*
J = NJ
Use as many lines as needed,
repeating the above format, until
NJ lines have been entered.




               149

-------
                      DATA GROUP E:  Channel Data
RECORD
1
2









NC









VARIABLE
HEADER
NN
CLEN(N)
B(N)
R(N)
CDIR(N)
CN(N)
V(N)
NJUNC(N,1)
NJUNC(N,2)
•

NN
CLEN(N)
B(N)(J)
R(N)V(J)
CDIR(N),1)
CN(N)(J,2)
V(N)(J,5)
NJUNC(N,1)
NJUNC(N,2)
COLUMN
1-80
1-5
6-15
16-25
26-35
36-45
46-55
56-65
66-70
71-75
•


*
.
.





FORMAT
20A4
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
15
15
•


.
.
.





SHORT DEFINITION
Title: "CHANNEL DATA"
N = 1
Channel number.
Length of channel N (f t) .
Width of channel N (ft) .
Hydraulic radius (or depth) (ft) .
Channel direction (degrees) .
Manning coeff. for channel N.
Mean velocity in channel N (ft/sec).
Lower jnct. number entering channel.
Higher jnct. no. entering channel.
j
N = NC
Use as many lines as needed,
repeating the above format, until
NJ lines have been entered.






                      DATA GROUP F:  Inflow Data
RECORD
1
2
3
4
5
VARIABLE
HEADER
NCFLOW
JRCF( I )
CFLOW(I)
HEADER
NVFLOW
COLUMN
1-80
1-5
1-10
11-20
4-80
1-5
FORMAT
20A4
15
110
F10.0
20A4
15
SHORT DEFINITION
Title: "CONSTANT INFLOW DATA"
Number of constant flow inputs.
Junction receiving constant flow I.
Cnst. inflow (-) or outflow (+) I
(ft^/sec). (One line per flow)
Title: "VARIABLE INFLOW DATA"
Number of variable flow inputs.
Continued
                                    150

-------
DATA GROUP F:  Inflow Data (Continued)
RECORD
6


7


























VARIABLE
JRVF(I)
NINCR(I)

DAY(K)

HR(K)

MIN(K)

VFLOW(.I,K)
DAY(K)
HR(K)
MIN(K)
VFLOW(I,K)
DAY(K)
HR(K)
MIN(K)
VFLOW(I^,K)
DAY(K)
HR(K)
MIN(K)
VFLOW(I,K)
•
•
•

DAY(K)
HR(K)
MIN(K)
VFLOW(I,K)
COLUMN
1-10
11-20

1-5

7-8

9-10

11-20
21-25
27-28
29-30
31-40
41-45
47-48
49-50
51-60
61-65
67-68
69-70
71-80
1-5
7-8
9-10
1 1-20
21-25
27-28
29-30
31-40
FORMAT
no
no

F5.0

1X,F2.0

F2.0

F10.0
•
•
•

•
•
•

•
•
•

•
•
*

F5.0
F2.0
F2.0
F10.0
SHORT DEFINITION
Jnct. receiving variable flow I.
Number of data points for variable
inflow in junction I.
Day corresponding to VFLOW(1,1)
(day) .
Hour corresponding to VFLOW(1,1)
(hr).
Minute corresponding to VFLOW(1,1)
(min) .
Variable flow (f t3/sec) .
K=2



K=3



K=4



(Uses as many 80-space lines as
needed to input NFLOW sets of
data, repeating the format above) .

K=NVFLOW



                 151

-------
DATA GROUP G:  Seaward Boundary Data
RECORD
1
2

3







VARIABLE
HEADER
NSEA
COLUMN
1-80
1-5
FORMAT
20A4
15
SHORT DEFINITION
Title: "SEAWARD BOUNDARY DATA"
Number of seaward boundaries
If NSEA > 0, proceed to record 3. If NSEA = 0, go to Data Group H.
JJ
NDATA
NTV(J)
MAXIT
MAXRES
TSHIFT
PSHIFT
YSCALE
1-5
6-10
11-15
16-20
21-25
26-30
31-35
36-40
15
15
15
15
15
F5.0
F5.0
F5.0
Junction number
No. data pts. to find average tide.
No. data pts. for variable tide.
Max. iters. to calculate ave. tide.
Max. error allowed in calculation.
Shifts time scale (hr) .
Shifts phase angle (radians).
Scale factor for observed B(HEAD).
(Option 1) If NTV(J) = 0 and NDATA = 0, use records 4 and 5.
(Option 2) If NTV(J) = 0 and NDATA > 0, use records 4 and 6.
(Option 3) If NTV(J) > 0, use record 5.
4

5




















PERIOD (J)
TSTART(J)
DAY(I)
HR(I)
MIN(I)

BHEAD(I)
DAY(I)
HR(I)
MIN(I)
BHEAD(I)
*
DAY(I)
HR(I)
MIN(I)
BHEADd)^
.
.
.

DAY(I)
HR(I)
MIN(I)
BHEAD(I)
1-10
11-20
1-5
6-8
9-10

11-20
21-25
26-28
29-30
31-40
•
61-65
67-68
69-70
71-80
.
.
.

.
.


F10.0
F10.0
F5.0
1X,F2.0
F2.0

F10.0
F5.0
1X,F2.0
F2.0
F10.0
•
F5.0
1X,F2.0
F2.0
F10.0
.
.
.

.
.


Period of tidal input (hr) .
Starting time for tidal input (hr) .
1=1
Day corresponding to BHEAD(1) (day).
Hour corresponding to BHEAD(1) (hr) .
Minute corresponding the BHEAD( 1 )
(min) .
Tidal elevation (feet)
1=2



1=3
1=4


Use as many lines as needed,
repeating the above format, until
NDATA sets (of time and head) are
entered.
I=NDATA



                152

-------
DATA GROUP G: Seaward Boundry Data (Continued)
RECORD
6






VARIABLE
A1(J,1)
A1(J,2)
A1(J,3)
A1(J,4)
A1(J,5)
A1(J,6)
A1(J,7)
COLUMN
1-10
1 1-20
21-30
31-40
41-50
51-60
61-70
FORMAT
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
SHORT DEFINITION
Head = A1 ( J , 1 )
+ A2(J,2) sin(u>t)
+ A3(J,3) sin(2u)t)
+ A4(J,4) sin(3o)t)
+ A5(J,5) cos(u>t)
+ A6(J,6) cos(2ut)
+ A7(J,7) cos(30)t)
       DATA GROUP H: Wind Data
RECORD
1
2
3


















VARIABLE
HEADER
NOBSW
DAY(K)
HR(K)
MIN(K)
WINDS(K)
WDIR(K)
•
•
•
•
DAY(K)
HR(K)
MIN(K)
WINDS (K)
WDIR(K)
•
•
*
DAY(K)
HR(K)
MIN(K)
WINDS(K)
WDIR(K)
COLUMN
1-80
1-5
1-5
7-8
9-10
11-15
16-20
•
•
•
•
61-65
67-68
69-70
71-75
76-80
•
•
•
1-5
7-8
9-10
11-15
16-20
FORMAT
20A4
15
F5.0
1X,F2.0
F2.0
F5.0
F5.0
•
•
•
•
F5.0
1X,F2.0
F2.0
F5.0
F5.0
•
•
•
F5.0
1X,F2.0
F2.0
F5.0
F5.0
SHORT DEFINITION
Title: "WIND DATA"
Number of data points.
K=1
Day corresponding to WINDS (K) (day).
Hour corresponding to WINDS(K) (hr) .
Min corresponding to WIND(K) (min) .
Wind speed (ft/sec).
Wind direction (degrees) .

K=4




Repeat as necessary, using above
format, until NOBSW groups of DAY,
HR, MIN are entered.
K=NOBSW




                      153

-------
2.2.4  DYNHYD3 Variable Definitions
  VARIABLE
POUND IN
SUBROUTINE
                       DEFINITION
 UNITS
  AK(N)


 *ALPHA(I)


  AREA(N)
  AREAT
  AVGD
  AVGDEP
  AVGQIN
  AVGVEL
 *A1(J,
 *BELEV(J)
 *BHEAD(J,L)
  kB(N)
DYNHY2
RUNKUT

DYNHYD
DYNHYD
RUNKUT
RESTRT
SUMRY1 ,2

RUNKUT
DYNHYD
SUMRY1,2
SUMRY1,2
SUMRY1,2
SEAWRD
DYNHYD
SEAWRD
REGAN
RUNKUT

DYNHYD
RUNKUT
RESTRT
SUMRY1,2
Friction coefficient for channel N.
Alphanumeric identifier to be printed as
  part of output, (1=1,80)

Cross-sectional area of channel N, corre-
  sponding to junction heads specified at
  each end of the channel.
Cross-sectional area of channel N during
  half time step.

Average depth of the channel used to cal
  culate average volume of connecting
  junction.

Average channel depth; calculated by sub-
  routine MEAN.

Average flow in channel.
Average velocity in channel.
Value of the I-th tidal coefficient
  (I = 1,7) for seaward boundary J,
  obtained from program REGAN.

Bottom elevation above (or below) the
  horizontal datum plane (usually)
  taken to be mean sea level).

Head at junction J, at time DAY(L), HR(L),
  MIN(L).  Used for variable  tides.
Width of channel N.
ft1/3
unit-
less

 ft*
                                                                      ft2
                                                                      ft
 ft


 ft*/
 sec

 ft/
 sec

 uni t-

 less

 ft
                                                         ft
                                                                      ft
     *Denotes input variables
                                     154

-------
 VARIABLE
POUND IN
SUBROUTINE
                       DEFINITION
 UNITS
 BTIME(J,L)
 BTMP
*CDIR(N)
*CFLOW(I)


*CLEN(N)
*CN(N)


 CQIN(J)


 CVOL

*DAY(K)


 DEL


*DELT
SEAWRD
RUNKUT
DYNHYD
DYNHYD
WIND
DYNHYD
SUMRY1,2

DYNHYD
RUNKUT
RESTRT
SUMRY1,2

DYNHYD
RESTRT

DYNHYD
RUNKUT

DYNHYD

DYNHYD
WIND

REGAN
DYNHYD
DEAWRD
WIND
RUNKUT
RESTRT
SUMRY1,2
Time in seconds; calculated from DAY(L),
  HR(L), and MIN(L) at junction J.
  Corresponds to variable head (BHEAD(J,
  K)).

Accumulative bottom elevation above (or
  below) the horizontal datum plane
  (usually taken to be mean sea level).

Channel direction, or angle in degrees
  from the north.  The channel direc-
  tion points in the direction of posi-
  tive flow, from the higher junction
  number to the lower junction number.

Constant inflow (negative) or outflow
  (positive) I.

Length of channel N.
Manning roughness coefficient for channel
  N.

Constant inflow for junction J.
Channel volume (area * depth).

Day of tidal data point.


Residual error for calculating


Time interval used in solution.
 sec
                                                                    ft
degrees
 ft3/
 sec

 ft
 sec/
 ft3/
 sec

 ft3

 days


 unit-
 less

 sec
                                   155

-------
VARIABLE
DELTQ

DEP(N,1 )
DIFF

DT


DT2


DTIME(J)

DVDT

DVDT1

DVDT2

DVDT3

DVDT4

DVDX

DVOL

DY

DYDT

DYDX

POUND IN
SUBROUTINE
SUMRY1 , 2

SUMRY1 , 2
REGAN

DYNHYD
SEAWRD
RUNKUT
DYNHYD
SEAWRD
RUNKUT
SEAWRD
RUNKUT
RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

RUNKUT

DEFINITION
Time step for the quality program (DELTQ =
DELT * NODYN/3600) .
Hydraulic radius of channel N.
Difference in actual and predicted value of
tidal height.
Full time interval.


1/2 time interval.


Range between last variable tide data point
and first variable tide data point.
Total acceleration term.

Momentum acceleration term.

Friction acceleration term.

Gravity acceleration term.

Wind acceleration term.

Velocity gradient ( Av/Ax) in a
channel.
Differential junction volume for 1/2 time
step.
The average change in channel head over 1/2
time step.
The average rate of change of head in a
channel over 1/2 time step.
The water surface slope over a channel at
a 1/2 time step.
UNITS
hr

ft
ft

sec


sec


sec

ft/
sec2
ft/
sec2
ft/
see2
ft/
sec2
ft/
sec2
ft/
sec- ft
ft3

ft

ft/
sec:
ft/ft

156

-------
VARIABLE
*EDAY
*EHR
*EMIN
FLO(N,1)

*FPRINT
FW(N)
G
*HEADER

*ICRD
INTRVL
I PRINT
IREADW

ITAPE
IW

*JJ
*JPRT(I)
*JRCF(I)
FOUND IN
SUBROUTINE
DYNHYD


SUMRY1 , 2

DYNHYD
WIND
RUNKUT
DYNHYD
DYNHYD
SEAWRD
WIND
DYNHYD
DYNHYD
DYNHYD
DYNHYD
WIND
DYNHYD
SUMRY1 ,2
WIND

DYNHYD
SEAWRD
DYNHYD
DYNHYD
SUMRY1 , 2
DEFINITION
Ending day of simulation.
Ending hour of simulation.
Ending minute of simulation.
Flow at channel N.

Time which the first printout is desired.
Wind acceleration term.
Acceleration due to gravity (32.1739
ft/sec2) .
Alphanumeric identifier for each data group.

File containing initial conditions for junc-
tions and channels (defaults to Unit 5) .
Interval (in cycles) between printouts.
Printed output begins at this cycle, and each
INTRVL cycle thereafter.
Switch to read in wind data once.

Hydraulic parameters are stored on Unit 2
beginning at this cycle.
Counter

Junction number.
Specified junction for which printout is
desired (1=1, NOPRT) .
Junction receiving constant flow I.
UNITS
day
hr
min
ft3/
sec
hr
ft/
sec2
ft/
sec2
unit-
less

unit-
less
cycles
cycles
unit-
less
cycles
unit-
less
junc-
tion
junc-
tion
junc-
tion
157

-------
VARIABLE
*JRVF(I)
*J1-J5
KT
KT2
LTAPE

*MAXIT

*MAXRES




MIN(K)

MXCH
MXJU
MXNR
*NC


*NCFLOW
*NCHAN
(J,K)

POUND IN
SUBROUTINE
DYNHYD
SUMRY1 , 2
DYNHYD
SUMRY1 , 2
RUNKUT
RUNKUT
DYNHYD
SUMRY1 , 2
SEAWRD
REGAN
SEAWRD
REGAN



DYNHYD
WIND
SUMRY1 ,2
SUMRY1 , 2
SUMRY1 ,2
DYNHYD
WIND
RUNKUT
SUMRY1 , 2
DYNHYD
SUMRY1 ,2
DYNHYD
RUNKUT
RESTRT
SUMRY1 , 2
DEFINITION
Junction receiving variable flow I.
Specified junctions for results to be
printed.
Friction coefficient during full time step.
Friction coefficient during half time step.
Last hydraulic time step written to TAPE

Maximum number of iterations desired in the
run.
Maximum value of the residual allowed. Will
not be exceeded unless the number of
iterations reaches MAXIT before the resi-
dual reaches MAXRES. A value of 0.0001
is typically used.
Minute for data point.

Maximum number of rows in matrix transferred
to x. Another name is MXROW.
Maximum number of rows in matrix transferred
to x. Another name is MXROW.
Maximum number of columns in matrix trans-
ferred to x. Another name is MXCOL.
Number of channels in model network.


Number of constant flow inputs.
Channel number entering junction J. Maximum
number of channels entering a junction
equals 5 (K-1-5) .

UNITS
junc-
tion
junc-
tion
1/ft
1/ft
cycles

unit-
less
unit-




V
min

unit-
less
unit-
less
uni t-
less
chan-
nels


unit-
less
chan-
nel

158

-------
 VARIABLE
POUND IN
SUBROUTINE
                       DEFINITION
UNITS
 NCOEFF
 NCOL
*NCYC
*NDATA
 NH
*NINCR(I)
 NINL
*NJ
*NJUNC
 (N,K)
 NK
 NL
*NN
*NOBSW
*NODYN
REGAN
MEAN
DYNHYD
RESTRT
SEAWRD
REGAN
SUMRY1,2
DYNHYD
REGAN

DYNHYD
SUMRY1 ,2

SEAWRD
RUNKUT

DYNHYD
RUNKUT
SUMRY1,2

DYNHYD
RUNKUT
SUMRY1,2
SEAWRD
RUNKUT

DYNHYD
RUNKUT

DYNHYD
RESTRT

WIND
DYNHYD
SUMRY1,2
Number of coefficients used  to  describe
  average tide  (=7).

Number of columns  in matrix  X.  Corre-
  sponds to  the number of data  points.
  Must be odd if NOPT =  1.

Total number of time steps (cycles  to
  be executed).  If 0, is calculated
  internally.

Number of input data points  over a  tidal
  cycle.  This  information is used  to
  calculate  the coefficients describing
  the tide.  Use as many data points as
  possible.

Lower of the two junction numbers of each
end of channel N.

Number of increments in  variable flow
  record I.

Number of seaward  boundaries plus one.
Number of junctions in the model network.
K = 1:  Lower of the two junction numbers
         at each end of channel N.
K = 2:  Higher of the two junction numbers
         at the end of channel N.

Number of coefficients used to specify tidal
  input (= 7).

Higher of the two junction numbers at each
  end of channel N.

Channel number.
Number of wind observations (number of wind
  data sets).

Number of hydraulic time steps per quality
  time step.	
unit-
less

unit-
less
unit-
less
junc-
tion

unit-
less

unit-
less

junc-
tion
junc-
tion
unit-
less

junc-
tion

channel
unit-
less

unit-
less
                                    159

-------
VARIABLE
*NOPRT
NRSTRT
NS
*NSEA

NTIDES
*NTV(J)
NX
NZERO
*N1-N5
*PERIOD(J)

*PINTVL
FRED
*PSHIFT
QCYC(I,K)
QINSAV(J)
POUND IN
SUBROUTINE
DYNHYD
DYNHYD
RESTRT
SEAWRD
RUNKUT
SEAWRD
RUNKUT
SEAWRD
SEAWRD
RUNKUT
DYNHYD
DYNHYD
DYNHYD
SEAWRD

DYNHLYD
REGAN
SEAWRD
REGAN
DYNHYD
SUMRY1 ,2
SUMRY1,2
DEFINITION UNITS
Number of junctions for which output is
desired.
Time at which SUMRY should start writing
flows and heads to tape for water quali-
ty simulation. Claculated from day, hr,
min.
NK/2. Number of sine and cosine terms in
relationship defining tidal input.
Number of seaward boundaries.

Number of tidal periods in simulation.
Number of variable tide data points. Use
only the highs and lows of a tiday
cycle, and be sure the first and last
are the same.
Number of data points for variable inflows
in junction I.
NRSTRT plus one.
Specified channels for DYNHYD check printout.
Tidal period. PERIOD is read in as hours,
but transformed to seconds within the
program.
Time interval between printouts.
Predicted value of tidal input.
Variable which shifts the phase angle in
the trigonometric relationship
(usually - 0) .
Hydrodynamic cycle (time step) at incre-
ment K in variable flow record I.
Inflow into junction j.
unit-
less
sec
unit-
less
unit-
less
periods
unit-
less
unit-
less
sec
channel
hr

hr
ft
radians
cycles
ft3/
sec
160

-------
VARIABLE
QINS(J,1 )

QTIME


RANGE(J)

RESID

*R(N)


RT(I)

SAREA
SASUM

SUM

*SUMRY





SUMQ

*SURF(J)

SXX(F,J)

SXY(J)

POUND IN
SUBROUTINE
SUMRY1 ,2

DYNHYD


SEAWRD

REGAN

DYNHYD
RUNKUT
SUMRY1 ,2
REGAN

DYNHYD
DYNHYD

REGAN

DYNHYD
SUMRY1




RUNKUT

DYNHYD
RUNKUT
REGAN

REGAN

DEFINITION
Inflow into junction J.

An intermediate variable giving the time in
seconds corresponding to a variable flow
VFLOW (I,K) .
Tidal range at junction J (RANGE(J) =
YMAX(J)- YMIN(J).
Residuals.

Hydraulic radius of channel N, taken as
the channel depth.

Time of the i^h specified data point on
the input tide (1=1, NDATA) .
Channel surface area (length * width).
Total channel surface area connected to
junction J.
Coefficients used in describing tidal
cycle (= A(K) ) .
Controls how hydrodynamic file 2 is pro-
cessed to create a permanent summary
file 4. If 0, no file created. If 1,
transient conditions are saved in a
formatted file. If 2, an unformatted
file is created.
Net flow into or out of a junction.

Surface area of junction J.

Sum of X squared in normalized regression
analysis equations.
Sum of x times Y in normalized regression
analysis equations.
UNITS
ft?/
sec
sec


ft

unit-
less
ft


hr

ft2
ft2

unit-
less
unit-
less




ft3/
sec
ft2

unit-
less
ft

161

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 VARIABLE
POUND IN
SUBROUTINE
                       DEFINITION
UNITS
 T2


 TEND



 TIME

 TNEXTC


 TREP(J)


 TREPW


 TRSTRT



*TSHIFT


*TSTART(J)
 TVEL
 (N,NA)

 TZERO
 VEL(N,1)
*VFLOW
DYNHYD




DYNHYD
RUNKUT

DYNHYD
SEAWRD

DYNHYD

RUNKUT



SEAWRD


WIND
DYNHYD
RESTRT

SEAWRD
REGAN

SEAWRD
RUNKUT

SUMRY1
DYNHYD
SEAWRD
WIND

SUMRY1,2
DYNHYD
SUMRY2
Total elapsed time,  initialized to equal
  TZERO and is incremented by DELT at the
  start of each time step.

Total elapsed time for one half step
  computation.

Ending time of simulation.
Total time.

Counter.  Determines if tidal cycle should
  start over.

Number of times the tidal cycle has been
  repeated.

Number of times wind data has been
  repeated.

Total elapsed time.
Variable that allows the time scale for
  the inputs to be shifted (usually = 0).

Starting time for tidal input.
Average velocity in channel N.
  (=AVGVEL).

Time at which computations begin.  Allows
  starting point to be anywhere on tidal
  cycle.

Velocity at channel N.
Flow value  at increment K in variable
  flow record I.  Negative values in-
  dicate inflow.  Linear interpolation
  is used to derive flow values be-
  tween increment K and K + 1.
sec



sec


hr


sec

sec


rep


rep


sec


hr


hr
ft/
sec

hr
ft/
sec

ft?/
sec
                                    162

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VARIABLE
*V(N)
VOL(J)
VQ(I,J)
VQIN(J)
VT(N)
WANGL
WDELTA
WDELTS
WDELTT
*WDIR(I)
WINDA
WINDL
*WINDS(I)
WRSQ
W(SB)
WSLOPA
WSLOPS
FOUND IN
SUBROUTINE
DYNHYD
WIND
RUNKUT
SUMRY1 ,2
DYNHYD
RUNKUT
SUMRY1 ,2
DYNHYD
DYNHYD
RUNKUT
RUNKUT
WIND
WIND
WIND
WIND
WIND
WIND
WIND
WIND
WIND
SEAWRD
WIND
WIND
DEFINITION
Mean velocity in channel N.
Volume of junction J (average depth *
surface area) .
Incremental flow in junction.
Sum of variable flows into each junction.
2/PERIOD.
Wind direction relative to channel
direction.
Angle change between two consecutive wind
data points.
Wind speed change between two consecutive
data points.
Time change between two consecutive data
points.
Wind direction (degrees from North) .
Local interpolated wind angle.
Local interpolated wind speed.
Wind speed.
Relative wind speed (squared) .
Frequency (2 * TLY/tidal period).
Slope of line connecting two consecutive
wind angle data points.
Slope of line connecting two consecutive
wind speed data points.
UNITS
ft/sec
ft3
ft?/
sec
ft3/
sec
hr-1
radians
radians
ft/sec
sec
degrees
degrees
ft/sec
ft/sec
ft?/
sec
hr-1
unit-
less
unit-
less
163

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VARIABLE
WTIM(I)
X(J)
*Y(J)
*YSCALE
YSOM
YT(J)
YTMPS
*ZDAY
*ZHR
*ZMIN
POUND IN
SUBROUTINE
WIND
REGAN
REGAN
MEAN
SEAWRD
REGAN
MEAN
DYNHYD
RUNKUT
DYNHYD
DYNHYD
DYNHYD
DYNHYD
DEFINITION
Time corresponding to WINDS(I) and WDIR(I).
Coefficients for tidal cycle equation.
Initial head for junction J in reference
to a datum.
Scale factor; defaults to 1 .
Summation of transformed head.
Head at junction J during one-half time
step.
Sum of all heads for each junction.
Beginning day of simulation.
Beginning hour of simulation.
Beginning minute of simulation.
UNITS
sec
unit-
less
ft:
unit-
less
ft
ft
ft
day
hr
min
2.3.  THE BASIC WATER QUALITY MODEL

2.3.1  Introduction

     This section describes the input required to run the WASP water-quality
program.  To arrange the input into a logical format, the data are  divided
into 16 groups, A through P.

          A - Model identification and System Bypass
          B - Exchange Coefficients
          C - Volumes
          D - Flows
          E - Boundary Concentrations
          F - Waste Loads
          G - Environmental Parameters
          H - Chemical Constants
          I - Time Functions
          J - initial Concentrations
          K - Stability and Accuracy Criteria
          L - Intermediate Print Control

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          M - integration Control
          N - Print Tables
          0 - Time Plots
          P - Spatial Plots

     The following is a brief explanation of each data group:

     DATA GROUP A is generally for model identification and contains system
bypass options.  The user must specify the number of segments  and the number
of systems (EUTKWASP-8 systems, TOXIWASP-2 systems), refer to  Table 19 for
listings.  Also, Data Group A contains information concerning  location of
Initial concentration and volume data.
                       TABLE 19.  EUTROWASP SYSTEMS

     1 .   AMMONIA NITROGEN
     2.   NITRATE NITROGEN
     3.   ORTHO-PHOSPHATE PHOSPHORUS
     4.   PHYTOPLANKTON CARBON
     5.   CARBONACEOUS BOD
     6.   DISSOLVED OXYGEN
     7.   ORGANIC NITROGEN
     8.   ORGANIC PHOSPHORUS
                            TOXIWASP SYSTEMS
     1.   CHEMICAL
     2.   SEDIMENT
     DATA GROUP B contains dispersive exchange coefficient information.
Dispersion occurs between segments and along a characteristic length.

     DATA GROUP C supplies initial segment volume information.

     DATA GROUP D supplies flow information between segments.  Flows may
be constant or variable.

     DATA GROUP E is a listing of concentrations for each system at the
boundaries.  All system concentrations must be supplied for each boundary.

     DATA GROUP F defines the waste loads and segments that receive the  waste
loads.  Loads may represent point or diffuse sources, and may be constant or
variable.

     DATA GROUP G contains appropriate environmental characteristics of  the
water body.  TOXIWASP requires 18 parameters per segment, and EUTKWASP
requires 13.  These parameters are spatially variable.

                                     165

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     DATA GROUP H contains appropriate chemical characteristics or constants.
TOXIWASP requires 66 constants, and EUTRWASP requires 48 constants.

     DATA GROUP I contains appropriate environmental or kinetic time
functions.  TOXIWASP requires 5 time functions, and EUTRWASP requires 14.

     DATA GROUP J is a listing of initial concentrations for each segment and
each system.

     DATA GROUP K contains maximum and minimum concentrations for each
system.  If the system concentration exceeds this specification, the model
will shut down and notify the user.

     DATA GROUP L allows the user to have tables printed during the simula-
tion.  The system, segment and time interval must be specified.

     DATA GROUP M supplies the program with the time step and ending time.
The program allows different time steps throughout simulation.  User must
specify number of time steps to be used, step size, and period of time this
time step applies.

     DATA GROUP N controls the tabular output.  EUTRWASP has 4 display vari-
ables per system, and TOXIWASP has 8 display variables per system.   Refer  to
Tables 20 and 21 for a listing.  These display variables may be printed for
any of the segments.

     DATA GROUP O allows the user to plot any variable against time for any
segment.  The maximum number of time curves on any one plot is 5, and one  may
have as many plots as desired.

     DATA GROUP P allows user to plot and overlay predicted and observed
variable data for any specific time.  The maximum number of curves  on any one
spatial plots is 5.
2.3.2  WASP3 Data Group Descriptions

2.3.2.1  DATA GROUP A:  Model Identification and System Bypass Option—

                                VARIABLES

                      Record 1—Model Identification

     MODEL     =    model designation.

     ISER      =    series designation.

     IRON      =    run number.

     NOSEG     =    number of model segments.
                                    166

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          TABLE 20.  EUTRWASP DISPLAY VARIABLES
                         SYSTEM _1

1.   NH3:  Ammonia, mg/L

2.   FLOW:  Flow, MCF/day

3.   STP:  Ambient segment temperature, °C

4.   PNH3GI:  Ammonia preference factor


                         SYSTEM 2


1  .   NO3:  Nitrate plus nitrate nitrogen, mg/L

2.   TN:  Total nitrogen, mg/L

3.   TIN:  Total inorganic nitrogen, mg/L

4.   XEMP1:  Nitrogen limitation factor for phytoplankton growth


                         SYSTEM 3

1.   OPO4:  Total ortho-phosphate phosphorus, mg/L

2.   TP:  Total phosphorus, mg/L

3.   LIMIT:  Nutrient limitation indicator

             ("+" = nitrogen, "-" = phosphorus)

4.   XEMP2:  Phosphorus limitation factor for phytoplankton
              growth


                       SYSTEM 4

1  .   TCHLAX:  Phytoplankton chlorophyll a, ug/L

2.   PHYT:  Phytoplankton carbon, mg/L

3.   RLIGHT:  Light limitation factor for phytoplankton growth

4.   RNUTR:  Nutrient limitation factor for phytoplankton
             growth
                           167

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    TABLE 20.  EUTRWASP DISPLAY VARIABLES (Continued)
                         SYSTEM 5




1 .    CBOD:   Carbonaceous BOD,  mg/L




2.    UBOD:   Ultimate (30 day)  BOD, mg/L




3.    SOD:  Sediment oxygen demand, g/m2.day




4.    BODS:   Five day BOD, mg/L







                         SYSTEM 6




1.    DO:  Dissolved oxygen, mg/L




2.    DODEF:  Dissolved oxygen deficit,  mg/L




3.    DOMIN:  Minimum diurnal DO value,  mg/L




4.    DOMAX:  Maximum diurnal DO value,  mg/L







                         SYSTEM 7




1.    ON:  Organic nitrogen, mg/L




2.    TON:  Total organic nitrogen, mg/L




3.    KA:  Reaeration rate constant, day~1




4.    GPP:  Ambient phytoplankton growth rate, day1







                         SYSTEM 8




1.    OP:  Organic phosphorus, mg/L




2.    TOP:  Total organic phosphorus, mg/L




3.    RATIO:  Inorganic nitrogen to phosphorus ratio




4.    SKE:  Ambient light extinction coefficient, ft"1
                           168

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                 TABLE 21.  TOXIWASP DISPLAY TABLES
                              SYSTEM 1


1 .   CHEM:  Chemical concentration,  mg/L

2.   CHEM1 :   Chemical dissolved in water phase,  mg/L

3.   CHEMS:   Chemical sorbed onto sediment,  mg/L

4.   CHEMB:   Chemical sorbed onto biological phase,  mg/L

5.   ALPHACI):  Dissolved fraction

6.   ALPHA(2):  Sorbed (sediment)  fraction

7.   XMASS:   Mass of chemical in segment,  kg

8.   BMASS:   Mass of chemical lost from segment due  to burial  or
             volatilization,  kg



                              SYSTEM 2


1 .   SED:  Sediment concentration, mg/L

2.   DEPTHG:  Segment depth,  ft

3.   TOTKL:   Total first-order decay rate constant,  day"1

4.   PHOTKLs  Photolysis decay rate  constant, hr~1

5.   HYDRKL:  Hydrolysis decay rate  constant, hr~1

6.   BIOLKL:  Biodegradation  decay rate constant, hr"1

7.   OXIDKL:  Oxidation decay rate constant, hr"1

8.   VOLKL:   Volatilization decay rate  constant, hr"1
                                169

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     NOSYS

     LISTG
     LISTC
     ICRD
     DAY

     HR

     MIN

     TITLE
number of systems.

0, print input data for exchange coefficients, volumes,
flows, and boundary conditions on the principal output
device.

1, do not print input data for exchange coefficients,
volumes, flows, and boundary conditions.

0, print input data for forcing functions, segment para-
meters, constants, miscellaneous time functions, and
initial conditions on the principal output device.

1, do not print input for forcing functions, segment
parameters, constants, miscellaneous time functions,
and initial conditions.
file number containing initial conditions,  if equal
to 5, concentrations are read from data set.  If
equal to 8, concentrations are read from a file
created by Subroutine RESTART from a previous run.

beginning day of simulation (day).

beginning hour of simulation (hour).

beginning minute of simulation (min).

Name of data group.
MODEL, ISER, IRON and TITLE assist the user in maintaining a log of  computer
simulations, but are not actually used by the WASP program.
     TITLE
     TITLE
     SYSBY(K)  =
   Record 2—Title information

Description of the water body (to be printed on
the output).

   Record 3—Simulation Option

Description of simulation (to be printed on the
output) .

 Record 4—Systems Bypass Option

0, perform the kinetic and transport phenomena
associated with system K (numerically integrate the
differential equations).

1, bypass all kinetic and transport phenomena associated
with system K (concentrations read as initial conditions

                 170

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     There will be NOSYS entries in Record 4 (K » 1, NOSYS).
                         ORGANIZATION OF RECORDS

     Each record in Data Group A is input once;  therefore, Data Group A
will consist of the first four lines of data.  Because Record 4 can contain
40 entries (12 format), all NOSYS entries for SYSBY(K) will fit on one line.
2.3.2.2  DATA GROUP B:  Exchange Coefficients

     The exchange coefficients may be input in one of two basic ways.  The
first reads in bulk exchange rates directly whereas the second calculates
them from input dispersion coefficients and accompanying cross-sectional
areas and characteristic lengths.  There are six data input options.  Records
1 and 2, described below, are identical in all six data group options.  The
variable IROPT, in Record 1, determines which option to use.  The remaining
records are described under each data group.
                                VARIABLES

                       Record 1—Data Input Option

     IROPT     «    1, constant exchange rates.

               =    2, all exchange rates proportional to one piecewise
                    linear approximation.

               »    3, each exchange rate represented by its own piecewise
                    linear approximation.

               «    4, constant exchange rates calculated from the dispersion
                    coefficient, cross-sectional area, and characteristic
                    lengths specified for each interface.

               =    5, all exchange coefficients proportional to one piece-
                    wise linear approximation, calculated from a piecewise
                    linear dispersion coefficient approximation, respective
                    cross-sectional areas, and characteristic lengths.

               =    6, each exchange rate proportional to its own piecewise
                    linear approximation, calculated from a piecewise linear
                    approximation for the dispersion coefficients, cross-
                    sectional areas, and characteristic length specified for
                    each interface.

     NOR       =    number of exchange rates.

     If no exchange rates are to be read, set NOR equal to zero, and continue
with DATA Group C.

                                    171

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     TITLE
  Name of data group.
     SCALR
     CONVR
Record 2—Scale and Conversion Factors

  scale factor for exchange coefficients. All exchange
  coefficients will be multiplied by this factor.

  units conversion factor for exchange coefficients.
  Exchange coefficients are expected to be in million
  cubic feet per day in options 1, 2 and 3 (B.1,  B.2 and
  B.3).  If the exchange coefficients are given in SI units
  (cubic meters per second), this factor will be 3.051.

  Options B.4, B.5 and B.6 require the dispersion
  coefficient to be in square miles per day,  the area in
  square feet, and the length in feet.  The conversion of
  sq. mi. - feet/day to MCF/day for options 4, 5,  and 6 is
  handled internally in WASP.  If the dispersion coeffi-
  cient, area and length are given in square  meters per
  day, square meters and meters, respectively, CONVR will
  be 1.267 x 10-6.
2.3.2.2.1   DATA GROUP B.1

                                VARIABLES

                    Record 3—Exchange Coefficients
     BR(K)


     IR(K),  JR(K)
       exchange coefficient between segments IR(K) and
       JR(K) in million cubic feet per day.

       segments between which exchange takes place. The
       order of the segments is not important;  if a segment
       exchanges with a boundary, the boundary is specified
       as zero.
              1 ,  NOR
     RBY(K)
  Record 4—Exchange Bypass Option

  0, exchange phenomena occurs in system K.

  1, bypass exchange phenomena for system K (effectively
  set all exchange coefficients equal to zero for system K)
          K = 1 ,  NOSYS
                                    172

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                         ORGANIZATION OP RECORDS

     Records 1  and 2 are entered once in Data Group B.1,  occupying one line
each.  Record 3, however, is repeated as many times as needed to satisfy NOR
sets of BR(K),  IR(K) and JR(K). For example, if NOR = 4,  Record 3 would
occupy one line of data, since four entries fit on one 80-space line. NOR =
10 would require three lines of data.  No matter how many physical lines are
used to complete NOR entries, all the lines are considered "Record 3".

     After NOR entries have been entered in Record 3, the following line
begins Record 4.  All NOSYS entries will fit on one line.
2.3.2.2.2  DATA GROUP B.2

                                VARIABLES

                  Record 3—-Exchange Coefficient Data

     BR(K)          =    ratio of the exchange coefficient between segments
                         IR(K) and JR (K) to the piecewise linear approxima-
                         tion.

     IR(K), JR(K)   =    segments between which exchange takes place.
                         The order of the segments is not important;  if a
                         segment exchanges with a boundary, the boundary is
                         specified as zero.

          K = 1 , NOR

                        Record 4—Number of Breaks

     NOBRK     =    number of values and times used to describe the piece-
                    wise linear approximation to the time function.

                 Record 5—Piecewise Linear Approximation

     RT(K)     =    value of the approximation at time T(K), in million cubic
                    feet per day.

     T(K)      =    time in days; if the length of the simulation exceeds
                    T(NOBRK), the piecewise linear approximation will repeat
                    itself, starting at time T(1); i.e., the approximation is
                    assumed to be periodic with period equal to T(NOBRK),
                    this holds true for all piecewise linear functions time.

          K = 1 , NOBRK

                    Record 6—Exchange Bypass Option

     RBY(K)    =    0, exchange phenomena occurs in system K.
                                     173

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                    1, bypass exchange phenomena for system K (effectively
                    set all exchange coefficients equal to zero for system K)
              1 , NO SYS
                         ORGANIZATION OF RECORDS

     In Data Group B.2, Records 1  and 2 are entered once.  Record 3,  however,
will be repeated until NOR sets of BR(K), IR(K)  and JR(K)  are satisfied.
Four sets will fit on one 80-space line (see the format listed for Record 3
in the accompaning tables).  All the physical lines containing the BR(K),
IR(K) and JR(K) data are considered "Record 3",  even though more than one
"record" (line) may actually be used.

     After NOR sets have been entered,  input Record 4 on the next line.
Record 5, starting on the line after Record 4, will continue as Record 3  did,
repeating until NOBRK sets of RT(K) and T(K) are entered.   Four sets will
fit on one 80-space line, as indicated  in the table.

     When NOBRK sets have been entered,  input record 6 on the following
line.  Record 6 will have NOSYS entries.
2.3.2.2.3  DATA GROUP B.3

                                VARIABLES

                      Record 3—-Exchange Placement

   IR(K), JR(K) «•   segments between which exchange takes place.   The order
                    of the segments  is  not important;  if  a segment exchanges
                    with a boundary, the boundary is specified as zero.

     NOBRK     =    number of values and times  used to describe the
                    piecewise linear approximation.  All  exchanges must
                    have the same number of breaks, and all breaks must
                    occur at the same time relative to each other.

          K = 1 , NOR


                Record 4—Piecewise  Linear Approximation

     RT(K)     «    value of the piecewise linear approximation at time T(K)
                    in million cubic feet per day.

     T(K)      =    time in days. 'All  break times must agree  for all seg
                    ments, i.e., T(1) must be the same for all exchanges,
                    T(2) must be the same for all exch'anges, etc.

          K = 1 , NOBRK

                                     174

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                   Record 5—Exchange Bypass Options

     RBY(K)    =    0, exchange phenomena occur in system K.

               =    1, bypass exchange phenomena for system K (effectively
                    set all exchange coefficients equal to zero for system K).

          K = 1 , NOSYS
                         ORGANIZATION OF RECORDS

     Records 1 and 2 are entered once in Data Group B.3 in the format listed
in Table B.3.  Records 3 and 4, grouped together, are repeated until NOR pairs
have been entered.  Within each Record 3-Record 4 set, Record 3 is input once
and Record 4 is repeated, as necessary, until NOBRK sets of RT(K) and T(K)
have been entered.  Four sets of RT(K) and T(K) will fit on each 80-space
line.

     After NOR sets of Records 3 (with accompanying Record 4's) have been
input, enter record 5.  Record 5 will occupy one line and have NOSYS entries.
2.3.2.2.3  DATA GROUP B.4

           Record 3—Data to Calculate Exchange Coefficients

     E(K)      =    dispersion coefficient for the interface between segment
                    IR(K), and JR(K) in square, miles/day.

     A(K)      =    the interfacial cross-sectional area between segments
                    IR(K) and JR(K), in square feet.

     IL(K)     =    the length of segment IR(K), with respect to the IL(K)-
                    JL(K) interface, in feet.

     JL(K)     =    the length of segment JR(K) in the relation to the
                    IR(K)-JR(K) interface, in feet.  If a segment exchanges
                    with a boundary, the characteristic length of the
                    boundary should be set equal to the length of the
                    segment with which it is exchanging.

  IR(K), JR(K) =    segments between which exchange takes place.  The order
                    of the segments is not important; if a segment exchanges
                    with a boundary, the boundary is specified as zero.

          K = 1 , NOR

                    Record 4—Exchange Bypass Option

     RBY(K)    =    0, exchange phenomena occurs in system K.
                                     175

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                    1, bypass exchange phenomena for system K (effectively
                    set all exchange coefficients equal to zero for system K,
          K = 1, NOSYS
                         ORGANIZATION OF RECORDS
     As in all the B data groups, Records 1 and 2 are entered once in Delta
Group B.4.  Record 3 is repeated as necessary until NOR sets of E(K), A(K),
IL(K), JL(K), IR(K) and JR(K) have been entered (two sets per line).  After
NOR sets are input, enter record 4 on the following line.  Record 4 has
NOSYS entries.
2.3.2.2.5  DATA GROUP B.5

                                VARIABLES

           Record 3—Data to Calculate Exchange Coefficients

     E(K)      =    the ratio of the dispersion coefficient between segment
                    IR(K) and JR(K) to the piecewise linear approximation.

     A(K)      =    the interfacial cross-sectional area between segments
                    IR(K) and JR(K), in square feet.

     IL(K)     =    the length of segment IR(K) in relation to the IR(K)-
                    JR(K), in square feet.

     JL(K)     =    the length of segment JR(K) in relation to the IR(K)-
                    JR(K) interface, in feet.  If a segment exchanges with a
                    boundary, the characteristic length of the boundary
                    should be set equal to the length of the segment with
                    which it is exchanging.

  IR(K), JK(K) =    segments between which exchange takes place.  The order
                    of the segments is not important.

          K = 1 , NOR

                       Record 4—Number of Breaks

     NOBRK     =    number of values and times used to describe the pieceswise
                    linear approximation to the time function.

                Record 5—Piecewise Linear Approximation

     RT(K)     =    value of the piecewise linear approximation at time T(K),
                    in square miles/day.

     T(K)      =    time in days.

                                     176

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          K = 1, NOBRK

                    Record 6—Exchange Bypass Option

     RBY(K)    =    0, exchange phenomena occurs in system K.

               =    1, bypass exchange phenomena for system K (effectively
                    sets all exchange coefficients equal to zero for system
                    K).

          K = 1, NOSYS
                         ORGANIZATION OF RECORDS

     Records 1 and 2 are entered once in Data Group B.5.  Record 3 uses as
many lines as needed to input NOR sets of E(K), A(K), IL(K), JL(K), IR(K)
and JR(K).  Two sets will fit on each 80-space line.  Record 4, following
Record 3, occupies one line.  Record 5 uses as many lines as needed to enter
NOBRK sets of RT(K)and T(K).  Four RT(K)-T(K) pairs can be entered on each
line.  After NOBRK sets have been entered, input record 6 on the following
line.  Record 6 has NOSYS entries.
2.3.2.2.6  DATA GROUP B.6

                                VARIABLES

                        Record 3—Exchange Data

IR(K), JR(K)   =    segments between which exchange takes place.  The order
                    of the segments is not important.

NOBRK          =    number of values and times used to describe the piecewise
                    linear approximation.  All NOR exchanges must have the
                    same number of breaks, and all breaks must occur at the
                    same time relative to one another.

          K = 1 , NOR

                Record 4—Piecewise Linear Approximation

RT(K)          =    value of the piecewise linear approximation at time T(K) ,
                    in square miles/day.

T(K)           =    time in days; all break times must agree for all segments,
                    i.e., T(1) must be the same for all exchanges, T(2) must
                    be the same for all exchanges, etc.

     K = 1 , NOBRK
                                     177

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         Record 5—Cross-Sectional Area, Characteristic Lengths

     A(K)      =    the interfacial cross-sectional area between segment
                    IR(K) and JR(K) in square feet.

     IL(K)     =    the length of segment IR(K)  in relation to the IR(K)-
                    JR(K) interface, in feet.

     JL(K)     =    the length of segment JR(K)  in relation to the IR(K)-
                    JR(K) interface in feet.

          K = 1, NOR

     If a segment exchanges with a boundary,  the characteristic length of the
boundary should be set equal to the length of the segment with which it is
exchangi ng.

                    Record 6—Exchange Bypass Option

     RBY(K)    =    0, exchange occurs in system K.

               =    1, bypass exchange phenomena for system K (effectively
                    set for all exchange coefficients equal to zero for
                    system K).
                          ORGANIATION OF RECORDS

     Records 1 and 2 are entered once in Data Group B.6.  Records 3, 4 and
5 are a set and are repeated NOR times,  within each set,  Record 3 will be
entered once (i.e., occupy one line) and record 5 will be  entered once.
Record 4, having NOBRK entries, will use multiple lines.  Four entries will
fit on each 80-space line.  Records 3, 4 and 5 are input sequentially in
each NOR set.

     After NOR sets of Records 3, 4 and 5 have been entered, input Record 6
on the following line.  Record 6 has NOSYS entries.
2.3.2.3  DATA GROUP C:  Volumes


                                VARIABLES

                       Record 1 —Preliminary Data

     IVOPT     =    1, constant volumes.

               =    2, 3 volumes adjusted to maintain flow continuity.

     TITLE     =    Name of data group.


                                     178

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                   Record 2—Scale Factor for Volumes

     SCALV     =    scale factor for volumes.  All volumes will be multiplied
                    by this factor.

     CONVV     =    scale factor for volumes.  Volumes are expected in
                    million cubic feet (MCF).  If volumes are given in SI
                    units (cubic meters), this factor will be  3.531 x
                    10-5.

                     Record 3—Volumes of Segments

     VOL(K)    =    volumes of segment K, in million cubic feet.

          K = 1 , NOSBG (from Card Group A)


                         ORGANIZATION OF RECORDS

     Records 1 and 2 are entered once in Data Group C.  Record 3 is repeated,
as needed, until NOSEG entries are input.  Eight entries will fit on one 80-
space line,  if ICRD = 8 in Data Group A, then volumes are read from the
restart file (RESTART.OUT), and Record 3 should not be included in the input
data set.


2.3.2.4  DATA GROUP D:  Flows

     Data Group D consists of the flows that are used in the model.  There
are four options available (D.1, D.2, D.3, and D.5).  Records 1  and 2,
discussed first, are the same in all four options.  IQOPT, in Record 1,
determines which option to use.  The remaining records are explained under
each data group.


                                VARIABLES

              Record 1—Data Input Option; Number of Flows

     IQOPT     =    1, constant flows.

               =    2, all flows proportional to one piecewise linear
                    approximation.

               =    3, each flow is represented by its own piecewise linear
                    approximation.

               =    4, flows are read in from an unformatted file (SUMRY2.
                    OUT) created by DYNHYD3.

               =    5, flows are read in from an unformatted file created by
                    DYNHYD3 (SUMRY2.OUT).

                                     179

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     NOQ       =    number of flows.

     TITLE     =    name of data group.

     If no flows are to be input, set NOQ to zero,  and go to Card Group E.

                    Record 2 — Scale Factor for  Flows

     SCALQ     =    scale factor for  flows.   All  flows will be multiplied
                    by this factor.

     CONVQ     =    units conversion  factor  for flows.  Flows  are expected
                    to be in cubic feet  per  second  (cfs).  If  flows are
                    given in SI units (cubic meters per second),  this factor
                    will be 35.31.


2.3.2.3.1   DATA GROUP D.1

                                VARIABLES

                         Record 3—Flow  Routing

     B.Q(K)     =    flow between segment IQ(K)  and  JQ(K)  in cfs.   WASP
                    convention is: if the flow value  is  positive, then flow
                    is from segment JQ(K)  to IQ(K).

     IQ(K)     =    upstream segment.

     JQ(K)     =    downstream segment.

          K = 1 , NOQ

     If flow is from a segment to a boundary, then  JQ(K)  is set equal to
zero; if a flow is from a boundary to a  segment,  then  IQ(K)  is set equal
to zero.


                      Record 4—Flow  Bypass  Option

     QBY(K)    =    0, flow tranport  occurs  in  system  K.

               =    1, bypass the flow transport  for system K  (effectively
                    set all flows equal  to zero in  system K).

          K = 1, NOSYS

     The flow bypass option permits  the  flow transport to be set  equal to
zero in one or more systems, while maintaining the  flow regime in the
remaining systems.
                                     180

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                           ORGANIZATION OF RECORDS

     Records 1  and 2 are entered once in D.1,  occupying one 80-space line
each.  Record 3 uses as many lines are needed to enter NOQ sets of BQ(K),
IQ(K) and JQ(K).  Four sets will fit on each line.  Record 4 has NOSYS
entries and occupies one line.
2.3.2.4.2  DATA GROUP D.2
BQ(K)


IQ(K)

JQ(K)
                                VARIABLES

                         Record 3 — Flow Routing

                    ratio of the flow between segments IQ(K) and JQ(K)  to
                    the piecewise linear flow approximation.

                    upstream segment.

                    downstream segment.
              1 , NOQ
     If flow is from a segment to a boundary, then JQ(K) is set equal to zero;
if a flow is from a boundary to a segment, then IQ(K) is set equal to zero.

                       Record 4 — Number of Breaks

     NOBRK     =    number of values and times used to describe the piecewise
                    linear approximation.

                    Record 5 — Piecewise Linear Flow

     QT(K)     =    value of the piecewise linear approximation at time T(K) ,
                    in cubic feet per second.

     T(K)      =    time in days.  If the length of the simulation exceeds
                    T(NOBRK), the broken line function will repeat itself,
                    starting at time T(1), i.e., the approximation is assumed
                    to be periodic, with period equal to T(NOBRK).

          K ~ 1 , NOBRK

                      Record 6 — Flow Bypass Option

     QBY(K)    =    0, flow tranport occurs in system K.

               =    1, bypass the flow transport for system K (effectively
                    sets all flows equal to zero in system K) .
              1 ,  NOSYS
                                     181

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     The flow bypass option permits the flow transport to be set equal to
zero in one or more systems, while maintaining the flow regime in the
remaining systems.
                         ORGANIZATION OF RECORDS

     Record 1  and 2 are input once in D.2.  Record 3 uses as many 80-space
lines as needed to enter NOQ sets of BQ(K),  IQ(K)  and JQ(K).  Four sets
will fit on one line.  After NOQ sets have been input, enter Record 4 on
the following line.  Record 5 will have NOBRK sets of QT(K)-T(K)  and uses
as many lines as necessary to enter them (four sets per line).   Record 6
occupies one line and will have NOSYS entries.
2.3.2.4.3  DATA GROUP D.3


                                VARIABLES

                         Record 3—Flow Routing

     IQ(K)     =    upstream segment flow from segment IQ(K)  to JQ(K),
                    assuming positive flow.

     JQ(K)     =    downstream segment flow from segment JQ(K),  assuming
                    positive flow.

     NOBRK     =    number of values and times used to describe the broken
                    line approximation.  All NOQ flows must have the same
                    number of breaks, and all breaks must occur at the  same
                    time relative to one another.

          K = 1 , NOQ
                Record 4—Piecewise Linear Approximation

     QT(K)     =    value of the piecewise linear  flow approximation at time
                    T(K) in cfs.

     T(K)      =    time in days.  If the length of the simulation exceeds
                    T(NOBRK), the broken line  function will  repeat itself,
                    stating at time, T(1).  All break times  must agree for
                    all flows, i.e., T(1) must be  the same for  all flows,
                    T(2) must be the same, etc.

          K = 1, NOBRK
                                    182

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                      Record 5—Flow Bypass Option

     QBY(K)    =    0, flow transport occurs in system K.

               =    1, bypass the flow transport for system K (effectively
                    sets all flows equal to zero in system K).

          K = 1, NOSYS

     The flow bypass option permits the flow transport to be set equal to
zero in one or more systems, while maintaining the flow regime in the
remaining systems.
                         ORGANIZATION OP RECORDS

     As in the other D data groups, Records 1  and 2 are entered once in Data
Group D.3, using one 80-space line for each record.  Records 3 and 4 are then
grouped together and repeated NOQ times.  Within each set, Record 3 is input
once (using one line) and Record 4 uses as many lines as needed to enter
NOBRK sets of QT(K)-T(K).  Four QT(K)-T(K) sets will fit on one line.

     After NOQ sets of Record 3 - Record 4 have been input, enter Record 5
on the following line.  Record 5 will have NOSYS entries.
2.3.2.4.4  DATA GROUP D.5

                                VARIABLES

                      Record 3—Seaward Boundaries

NSEA
JSEA(I)
JUNSEG(I)
QBY(K)
number of downstream (seaward) boundary segments (same as
in hydrodynamic simulation).

segment numbers for downstream boundary segments.

1=1, NSEA

 Record 4—Junction-Segment Map

segment number corresponding to hydrodynamic junction I.

I = 1 , NJ

  Record 5—Flow Bypass Option

0, flow transport occurs in system K.

1, bypass the flow transport for system K (effectively
set all flows equal to zero in system K).
                                     183

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                         ORGANIZATION OF RECORDS

     As in other D data groups,  Records 1  and 2 are  entered  once  in Data
Group D.5, using one 80-space line for each record.   Records 3, 4,  5 and 6
follow in order.  Record 4 will  be repeated enough times  to  handle  NJ
entries.  Record 5 will have NOSYS entries.
2.3.2.5  DATA GROUP E:  Boundary Concentrations

     Data Group E is repeated,  in its entirety,  NOSYS times.   There are three
options for Data Group E  (E.1, E.2 and E.3).  Each time E is  repeated, a
different option may be used.

     Records 1 and 2 are identical in all three  options.  IBCOP(K), in Record
1, determines the option for each system.
                                VARIABLES

      Record 1—Data Input Option—number of Boundary Conditions

     IBCOP(K)  =    1, constant boundary conditions.

               =    2, all boundary conditions  proportional  to  one  piecewise
                    linear approximation.

               =    3, each boundary condition  represented by its own
                    piecewise linear approximation.

     NOBC(K)   =    number of boundary conditions used for system K.

     TITLE     =    name of data group

          K « 1, NOSYS

     If no boundary conditions are to be input, set NOBC(K)  equal to  zero
and either continue with the next system or go  to the next card group.

             Record 2—Scale Factor for Boundary Conditions

     SCALE     =    scale factor for boundary conditions.  All  boundary
                    conditions will be multiplied by  this  factor.

     CONVB     =    unit conversion factor for  boundary conditions.
                    Boundary conditions are expected  to be in milligrams
                    per liter (mg/1).  If boundary conditions are given in
                    SI units (grams ber cubic meter), CONVB  will be 1.0.

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2.3.2.5.1  DATA GROUP E.1


                                VARIABLES

                     Record 3—Boundary Conditions

     BBC(K)    =    boundary condition of segment IBC(K) in mg/1.

     IBC(K)    =    segment number to which boundary condition BBC(K) is to
                    be applied.

          K = 1, NOBC


                         ORGANIZATION OF RECORDS

     Records 1 and 2 are input once in E.1.  Record 3 has NOBC entries and is
repeated as necessary until all are entered (five entries per 80-space line).


2.3.2.5.2  DATA GROUP E.2


                                  VARIABLES

                     Record 3—Boundary Conditions

     BBC(K)    =    ratio of the boundary condition for segment IBC(K) to the
                    piecewise linear approximation.

     IBC(K)    -    segment number.

          K = 1 , NOBC

                       Record 4—Number of Breaks

     NOBRK     =    number of values and times used to describe the piecewise
                    linear approximation.

        Record 5—Piecewise Linear Boundary Conditions (Approx)

     BCT(K)    =    value of the broken line approximation at time T(K) in
                    mg/1.

     T(K)      =    time at breaks in broken line approximation, in days.

          K = 1, NOBRK

     If the length of the simulation exceeds T(NOBRK), the piecewise linear
approximation is repeated, starting at T(1), i.e., the approximation is
assumed to be period equal to T(NOBRK).

                                     185

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                         ORGANIZATION OF RECORDS

     In E.2, Records 1  and 2 are entered once.   Record 3,  having NOBC entries,
uses as many 80-space lines as needed to input all entries.   Five entries (one
entry is one BBC(K)-IBC(K) set)  will fit on one line.   Record 4 uses  one  line.
Record 5 has NOBRK entries and is repeated as necessary until all are entered.
Four pairs of BCT(K)-T(K) will fit on each line.
2.3.2.5.3  DATA GROUP E.3


                                VARIABLES

                     Record 3—Boundary Conditions

     IBC(K)    =    boundary segment number.

     NOBRK(K)  =    number of values and times  used to describe  the brokesn
                    line approximation.  The  number of breaks must be equal
                    for all boundary conditions within a  system.

          K = 1, NOBC

             Record 4—Piecewise Linear Bound.  Cond. (Approx.)

     BCT(K)    =    value of the boundary approximation at time  T(K) in mg/1.

     T(K)      =    time in days.  If the length of the simulation exceeds
                    T(NOBRK), the broken line approximation is repeated,
                    starting at T(1), i.e., the approximation is assumed
                    to be periodic, with period equation to T(NOBRK).  All
                    break times must agree for  all segment, i.e., T(1) must
                    be the same for all exchanges, T(2) must be  the same for
                    all exchanges, etc.

          K = 1 , NOBRK
                         ORGANIZATION  OF RECORDS

     Records 1  and 2 are entered once in E.3.   Records 3 and 4 are a set and
are repeated NOBC times.  Within each NOBC set, Record 3 is entered once and
Record 4 is repeated until NOBRK entries are input.   Four entries (four
BCT(K)-T(K) pairs) will fit on each 80-space line.
2.3.2.6  DATA GROUP F:  Waste Loads

     Data Group F contains the loads used in the model.  Like Data Group E,
Data Group F is repeated NOSYS times for point source loads.   F.1, F.2 or F.3
may be used each time F is repeated.  Records 1  and 2 are identical in all

                                    186

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three data groups; IWKOP(K) in Record 1  determines the data group used.
Following complete specification of point source loads, nonpoint
source loads will be read from Data Group F.4 if LOPT was set greater than
zero.
                                VARIABLES

         Record 1—Data Input Option; No. of Forcing Functions

   IWKOP(ISYS) =    1, constant forcing functions.

               =    2, all forcing functions are proportional to one piece-
                    wise linear approximation.

               =    3, each forcing function represented by its own piecewise
                    linear approximation.

   NOWK(ISYS)  =    number of forcing functions used for system ISYS.  Forc-
                    ing functions may also be considered as sources (loads)
                    or sinks of a water quality constituent.  If no forcing
                    functions are to be input, set NOWK(ISYS) to zero,  and
                    continue with next system or go to next data group.

   LOPT        =    option to read in Data Group F.4 for nonpoint source
                    loads.  If LOPT is greater than zero, then Data Group
                    F.4 will be read following completion of F.1 , F.2,  or
                    F.3 for all systems.  LOPT is entered for ISYS=1  only.

     TITLE     =    name of data group.

              Record 2—Scale Factor for Forcing Functions

     SCALW     =    scale factor for forcing functions.  All forcing
                    functions will be multiplied by this factor.

     CONVW     =    unit conversion factor for forcing functions.
                    Forcing functions are expected to be in pounds per  day.
                    If forcing functions are given in SI units (kilograms per
                    day), this factor will be 2.205.


2.3.2.6.1   DATA GROUP F.1


                                VARIABLES

                      Record 3—Forcing Functions

     BWK(K)    =    forcing function of segment IWK(K), in pounds/day.
                                     187

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     IWK(K)    =    segment number to which forcing function BWK(K)  is to
                    be applied.

          K = 1, NOWK
                         ORGANIZATION OF RECORDS

     Records 1  and 2 are entered once in  F.1.   Record 3 has NOWK entries
and uses as many 80-space lines as needed to enter all NOWK entries.  Five
entries (five BWK(K)-IWK(K)  pairs) will fit on  one line.
2.3.2.6.2  DATA GROUP F.2


                                VARIABLES

                      Record 3—Forcing Functions

     BWK(K)    =    ratio of the forcing function for segment IWK(K)  to the
                    piecewise linear approximation.

     IWK(K)    =    segment number to which forcing function BWK(K)  is to be
                    applied.

          K = 1, NOWK

                       Record 4—Number of Breaks

     NOBRK     =    number of values and times used to describe the  piecewise
                    linear approximation.

                Record 5—piecewise Linear Approximation

     WKT(K)    =    value of the forcing function at time T(K), in pounds/day.

     T(K)      =    time in days.  If the length of the simulation exceeds
                    T(NOBRK), the forcing function approximation is repeated,
                    starting at T(1), i.e., the approximation is assumed to
                    be periodic, with period equal to T(NOBRK).

          K = 1, NOBRK
                         ORGANIZATION OF RECORDS

     In F.2, Records 1, 2 and 4 are entered once.  Record 3 (entered before
Record 4) has NOWK entries and will be repeated until all are input. Five
entries (BWK(K)-IWK(K) pairs) will fit on one 80-space line.  Record 5 has
NOBRK entries and will be repeated until all are entered.  Four entries
(WKT(K)-T(K) pairs) will fit on each 80-space line.

                                     188

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2.3.2.6.3  DATA GROUP F.3


                                VARIABLES

                      Record 3—Forcing Functions

     IWK(K)    =    segment number that has forcing function BWK(K).

     NOBRK(K)  =    number of breaks used to describe the forcing function
                    approximation.  The number of breaks must be equal for
                    all forcing functions within a system.

          K = 1, NOWK

                Record 4—Piecewise Linear Approximation

     WKT(K)    =    value of the forcing function at time T(K),  in pounds/day.

     T(K)      =    time in days.  If the length of the simulation exceeds
                    T(NOBRK), the approximation is repeated, starting at
                    T(1), i.e., the approximation is assumed to  be periodic
                    with period equal to T(NOBRK).  All break times must
                    agree for all segments; i.e., T(1)  must be the same for
                    all boundary conditions, T(2) must be the same for all
                    boun. cond., etc.

          K = 1, NOBRK
                         ORGANIZATION OF RECORDS

     In F.3, Records 1 and 2 are input once.  Records 3 and 4 are a set and
are repeated (as a set) NOWK times,  within each set, Record 3 is entered
once and Record 4 is repeated until all NOBRK entries are entered.  Four
entries (WKT(K)-T(K) pairs) will fit on each 80-space line.
2.3.2.6.4  DATA GROUP F.4


                                VARIABLES

              Record 1—Number of Runoff Loads,  Initial Day

     NOWKS     =    number of segments receiving runoff loads.

     NPSDAY    =    the time in the runoff file  corresponding to the initial
                    simulation time,  in days.
                                     189

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                 Record 2—Scale Factor for Runoff Loads

     SCALN     =    scale factor for runoff loads.  All runoff loads will be
                    multiplied by this factor.

     CONVN     =    unit conversion factor for  runoff loads.   Runoff loads
                    are expected in pounds per  day.  if runoff loads are
                    given in SI units (kilograms per day),  this factor will
                    be 2.205.

                        Record 3—Runoff Segments

     INPS(J)   =    segment number to which runoff load J  is  applied.

          J = 1,NOWKS

                      Record 4—Print Specifications

     KT1       =    initial day for which nonzero runoff loads from file
                    NPS.DAT will be printed.

     KT2       =    final day for which nonzero runoff loads  from file
                    NPS.DAT will be printed.

     KPRT(I)   =    indicator specifying whether nonzero runoff loads will be
                    printed for each system. If KPRT(I) is greater than
                    zero, then runoff loads will be printed for system I,

          I = 1 ,NOSYS
                         ORGANIZATION OF RECORDS

     Records 1  and 2 are entered once in Data Group F.4.   Record 3 has NOWKS
entries and uses as many 80-space lines as needed to enter all NOWKS segment
numbers.  Sixteen entries will fit on one line.   Record 4 is  entered once.
2.3.2.7  DATA GROUP G: Parameters

     The definition of the parameters will vary, depending upon the structure
and kinetics of the systems comprising each model.   The input format,  however,
is constant.
                                VARIABLES

                     Record 1 -—Number of Parameters

     NOPAM     =    number of parameters required by the model,  if no
                    parameters are to be input,  set NOPAM to zero and go to
                    Data Group H.

                                     190

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     TITLE     =    name of data group.

                 Record 2—Scale Factors for Parameters

     SCALP(K)  =    scale factor for parameter K.

          K = 1 , NOPAM

                     Record 3—-Segment Parameters.

     ANAME(K)       =    an optional one to five alphanumeric character
                         descriptive name for parameter PARAM(ISEG,K).

     PARAM(ISEG,K)  =    the value of parameter ANAME(K) in segment ISEG.

          K = 1, NOPAM

       ISEG = 1, NOSEG


                         ORGANIZATION OF RECORDS

     Record 1 is input once in Data Group G, occupying one line.   Record 2
has NOPAM entries.  Eight entries will fit on one line; thus, Record 2  uses
as many 80-space lines as needed to enter all NOPAM entries.  Record 3  also
has NOPAM entries and uses multiple lines.  Five entries will fit per line.


2.3.2.8  DATA GROUP H:  Constants—

     The definition of the constants will vary, depending upon the structure
and kinetics of the systems comprising each model.


                                VARIABLES

                     Record 1 —Number of Constants

     NCONS     =    number of constants required by the model.

     TITLE     =    name of data group.

     If no constants are to be input, set NCONS equal to zero and continue
     with the Data Group I.

                          Record 2—Constants

     ANAME(K)  =    an optional one to five alpha-numeric character
                    descriptive name for constant CONST(K).

     CONST(K)  =    the value  of constant ANAME(K).
                                    191

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          K = 1 ,  NCONS
                         ORGANIZATION OF RECORDS

     Record 1  is entered once in Cata Group H.   Record 2 has  NCONS entries
and uses as many 80-space lines as needed to input all NCONS  entries.   Five
entries (ANAME(K)-CONST(K)  pairs) will fit per  line.
2.3.2.9  DATA GROUP I:  Miscellaneous Time Functions—

     The definition of the miscellaneous  time  function will  vary depending
upon the structure and the kinetics of the systems comprising each model.
The input format, however, is constant.
                                VARIABLES

                   Record 1 —Number of Time Functions

     NFUNC     =    number of time functions required by the model,   if no
                    time functions are to be input,  set NFUNC equal  to zero
                    and go to Card Group K.

     TITLE     =    name of data group.

                   Record 2—Time Function Descriptions

     ANAME(K)  =    an optional one to five alphanumeric character
                    descriptive name for the time function K.

     NOBRK(K)  =    number of breaks used to describe the time function K.

          K = 1, NFUNC

                        Record 3—Time Functions

     VALT(K)   =    value of the function at time T(K).

     T(K)      =    time in days.  If the length of  the simulation exceeds
                    T(NOBRK), the time function will repeat itself,
                    starting atT(1), i.e., the approximation is assumed
                    to be periodic, with period equal to T(NOBRK).

          K = 1, NOBRK
                         ORGANIZATION OF RECORDS

     Record 1 in entered once in Data Group I.  Records 2 and 3, as a set,
are repeated NFUNC times.  Within each NFUNC set,  Record 2 is input once and

                                     192

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Record 3 uses as many 80-space lines as needed to input NOBRK entries. Four
entries (four VALK(K)-T(K) pairs) will fit on each 80-space line.
2.3.2.10  DATA GROUP J:  Initial Concentrations—

     The initial conditions are the segment concentration for the state
variables at time zero (or the start of the simulation).
                                VARIABLES

                             Record 1—Title

     TITLE     =    name of data group

                       Record 2—Initial Conditions

     ANAME(K)  =    an optional one to five alpha-numeric character
                    descriptive name for the initial condition in segment
                    K of system ISYS.

     C(ISYS,K) =    initial concentration in segment K of system ISYS in the
                    appropriate units (normally mg/1 or ppm).

          K = 1, NOSEG
       ISYS = 1, NOSYS
                         ORGANIZATION OF RECORDS

     Record 1  is input once in Data Group J.   Record 2 is  a  set and will
be repeated NOSYS times.  Within each NOSYS set, there are NOSEG entries.
Each NOSYS set will use as many 80-space lines as needed to  input NOSEG
entries.  Five entries (ANAME(K)-C(ISYS,K)  pairs) will fit one line.   After
NOSEG entries  have been entered in a NOSYS set, begin the  next NOSYS set on
the following line.

     Each NOSYS system must have initial conditions, even if the system is
bypassed or the initial conditions are zero.   If ICRD = 8  in Data Group A,
then initial conditions are read from the restart file (RESTART.OUT),  and
Record 2 should not be included in the input  data set.
                                     193

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2.3.2.11  DATA GROUP K:   Stability and Accuracy  Criteria—


                                VARIABLES

                      Record 1—Stability  Criteria

     CMAX(K)    =    stability criteria for system K,  i.e.,  the maximum
                    concentration (normal  units  mg/1  or ppm)  for  system K
                    which if exceeded  by any  segments  in system K indicates
                    that the numerical integration  procedure  has  become
                    unstable.  If instability occurs,  an appropriate message
                    is printed and the integration  procedure  is terminated
                    and  a call is made to  the display  subroutines.

          K = 1, NOSYS

                      Record 2—Accuracy Criteria

     CMIN(K)    =    0.0  for each system.

          K = 1, NOSYS


                         ORGANIZATION  OP RECORDS

     In Data Group K, Records 1  and 2  each have  NOSYS  entries.  Each record
will use as many 80-space lines as needed  to  enter  all NOSYS  entries.  Eight
entries (CMAX(K) in Record 1; CMIN(K)  in Record  2)  will fit on one  line.


2.3.2.12  DATA GROUP L:   Intermediate  Print Control—

     There are two options for Data Group  L (L.1 and  L.2).  Records 1 and
2 are identical in the two options. ISYSd), in Record 3,  determines the
option.  If ISYSd) = 0, then option 2 is  invoked.  Otherwise, option 1 is
used.


                                VARIABLES

                    Record 1—Number of Print Intervals

     NPRINT    =    number of print intervals.   NOTE:  The  maximum  number
                    of print outs = total  prototype time/print interval +
                    1 (for time zero)  must be equal to or less than the
                    FORTRAN parameter  MP that was used when compiling the
                    program.

     TITLE     =    name of data group.
                                     194

-------
                        Record 2—Print intervals

     PRINT(I)  =    print interval (day).

     TPRINT(I) =    final time for application of PRINT(I) (day).

          I = 1,NPRINT


2.3.2.12.1  DATA GROUP L.1


                                VARIABLES

        Record 3—Compartments (system - segment) to be Displayed

     ISYS(K),  =    system, segment combinations that the user wishes

     ISEG(K)        to have displayed during simulation - user may select
                    a maximum of 8.  All system-segment concentrations as
                    well as other miscellaneous calculations may be displayed
                    at the end of the simulation; see Card Group N.

          K = 1, 8
                         ORGANIZATION OF RECORDS

     In Data Group L.1, Record 1  is entered once.  Record 2 contains four
print interval-final time combinations per line.  This record is repeated
(NPRINT/4) + 1 times.  Record 3 will have up to eight entries and use one
80-space line.
2.3.2.12.2  DATA GROUP L.2


                                VARIABLES

                           Record 3—Mass Check

     IMCHK     =    0 to invoke mass check option.

     MSYS      =    system number for which a total mass balance analysis
                    will be performed.
                                    195

-------
2.3.2.13  DATA GROUP M:   Integration Control—


                                VARIABLES

         Record 1—Integration Option -  Negative  Solution  Option

     INTYP     =    1, user wishes  the WASP  program to  determine the
                    integration step size (based  upon its  own  accuracy
                    criteria).  This option  is not  recommended.

               =    2,  the user will supply  the integration step sizes that
                    WASP will  use.   This option is  recommended.
     NEGSLN
     TITLE
0, a user wishes to restrict integration to the positive
plane only - this is the normal option selected.

1, user will permit the integration procedure to go
negative - used for special applications (es. , DO
deficit, pH - alkalinity) .

name of data group.
       Record 2—Time Warp Scale Factor -  Starting  simulation  Time

     SCALT     =    time warp scale factor -  not  used.

     TZERO     =    prototype time for start  of simulation.  This is usually
                    equal to zero, but user may start at  time  other than  zero
                    (used to initialize any of the  piecewise linear time
                    functions).   If DAY, HR,  MIN  are entered in Data Group A,
                    this value is ignored.

               Record 3—Number  of Integration Step Sizes

     NOSTEP    =    number of integration  step sizes  to be used in  the
                    simulation.

                Record 4—integration Step Size History

     DT(K)     -    integration  step size  (normal units-days).

     TIME(K)   =    time until which step  size DT(K) will be used,  then
                    switching to DT(K+1) until TIME(K+1).

          K = 1 , NOSTEP
                         ORGANIZATION OF RECORDS

     Records 1, 2 and 3 are input once in Data Group M,  occupying one 80-
space line each.  Record 4 will use as many lines as needed to enter NOSTEP

                                     196

-------
2.3.2.14  DATA GROUP N:  Print Tables—

   This card group controls the output data.


                                VARIABLES

                        Record 1 —Variable Names

     ANAME(K)  =    a one to eight alpha-numeric character descriptive name
                    for display variable K.  The order of these names  is
                    determined via the assignment order in the user's  kinetic
                    subroutine.

     TITLE     =    name of data group

          K = 1 ,8

              Record 2—Variable Number - Segment Numbers

     VARNO     =    the position of the desired variables, to be displayed,
                    in the WRITE file statement in the kinetic subroutine
                    (see previous note).

     SEG(K)    =    segment number to be displayed.  Order of display  is
                    unimportant,  i.e., need not be sequential.

     K = 1, NOSEG

                            Record 3—Blank

     Blank record.


                         ORGANIZATION OF RECORDS

     Data Group N is repeated in its entirety NOSYS times,  within each
NOSYS set, Record 1  is entered once.  Record 2 may then be repeated as many
times as the user wishes.  Each record 2 entered will output a table of data
for the variable designated in VARNO and the eight corresponding SEG(K)'s.
The same variable may be used for VARNO again if the user wants to print data
on eight more segments under that variable.  The user may repeat this  process
for each of the eight variables listed in Record 1.

     The variables in Record 2 do not have to be entered sequentially;  for
example, in the first "Record 2"  entered, VARNO can equal 4 and the next
"Record 2" can have VARNO = 2 or any other number one through eight.  Thus,
the user can arrange the output tables anyway he or she wishes.

     The systems, however,  must be input sequentially.  After Record 1  and
all the Record 2's the user wants displayed are input for NOSYS = 1, enter
the blank line (Record 3) and then enter Record 1 for NOSYS = 2.  Continue

                                     197

-------
with the Record 2's for that system and the blank Record 3.  Again, Record 2
in each NOSYS system can be repeated an infinite number of times and the
blank record must be input between each subsequent NOSYS set.
2.3.2.15  DATA GROUP O: Printer Plot Display Cards (Time Plots)—


                                VARIABLES

          Record 1—Number of Segments and Variables for Plot
     NSPLT

     VARNO


     TITLE
     PMIN,
     PMAX
     SEG(K)
number of segments to be plotted (maximum of five).

the position of the desired variable to be plotted,
in the WRITE file statement in the kinetic subroutine.

name of data group.

   Record 2—Plotting Scales

minimum and maximum values, respectively, to be used for
this plot.

Record 3—Segment to be Plotted

segment numbers to be plotted (a maximum of five segments
per plot allowed)

        Record 4—Blank
     Blank record.
                         ORGANIZATION OF RECORDS

     Data Group 0 will be entered once for each system 1  through NOSYS.
Within each system, Records 1-3 are repeated for each plot the user wants
to print from that system.  Two plots are printed per page;  therefore,
Records 1-3 should be entered an even number of times within each NOSYS
group.  Each record will occupy one line.

     After all sets of Records 1-3 have been input for NOSYS = 1, enter the
blank Record 4 and then the data (Records 1-3) for NOSYS = 2.  Continue in
this manner until all systems have plotting data.
                                     198

-------
2.3.2.16  DATA GROUP P:   Spatial Plots—

     Card Group P controls plots from both predicted data and observed data.
     RM1,  RM2
                      VARIABLES

              Record 1 —Spatial Scale

          minimum and maximum river mile values, respectively, to
          be used for all spatial plots.
     TITLE




     SEG(K)

     RM(K)
     MXTIM
     IVAR
     YSTR,
     YSTP
     =    name of data group.

    Record 2—Segment River Miles to be Plotted

     =    segment number to be plotted.

          river mile value for SEG(K).

K = 1 , NOSEG

Record 3—predicted Variable Plot Control Information

     =    number of time selections to be included on this plot
          (maximum of 5).

     =    the position of the desired variable to be plotted in
          the WRITE file statement in the kinetic subroutine.

     =    minimum and maximum values, respectively, to be used
          for the Y-axis of this plot.
     SYSOPT

     OVRLAY
     TITL1
          system number of the desired variable to be plotted.

          flag to cause this plot to be overlaid with the
          following plots:

          0, causes this plot to be printed along (or with
          preceding plot, if OVRLAY on the preceding plot cards
          is set to 1).

          1, causes this plot to be overlaid on the following
          plot.  (Note:  Although any number of plots can be
          overlaid, we suggest a maximum of three; YSTR and
          YSTP values  should be compatible for overlaid plots.)

          title for plot,  when overlaying plots, the first two
          titles and the last title will be printed.
                                     199

-------
    Record 4—Predicted Variable Plot Control information

TIM(K)    =    time selections for this plot (1-MXTIM).

SYMTAB(K) =    plot symbol associated with time TIM(K).

       Record 5—Observed Data Plot Control Information

FLAG      =    flag to indicate observed data.

          =    99999, plot the observed data.

IUNIT     =    unit device number where observed data are to be found
               (default = 5;  optional unit numbers are 82-89).

YSTR,     =    minimum and maximum values, respectively, to use for
YSTP           the Y-axis of  this plot.

NOOBS     =    number of observed data points for this plot.

OVRLAY    =    0, causes this plot to be printed alone (or with
               preceeding plot, if OVRLAY on the preceding plot
               cards is 1).

          =    1, causes this plot to be overlaid on the following plot.

TITL1     =    title for this plot.

OBSSYM    =    plot symbol associated with observed data for this plot.

          Record 6—River Mile - Observed Data Values

RIVMIL(K) =    river mile location for observed data point "K".

VALUE(K)  =    observed value of variable at RIVMIL(K).

     K « 1, NOOBS

       Record 7—Format Specification for Data on "IUNIT"

PMT       =    format specification for observed river mile - observed
               data values on auxiliary input file IUNIT (specified
               on Record 5).   Must begin and end with parentheses
               and contain valid formats, such as (2F5.0), (16F5.0)
               or (F5.0/F5.0).
                               200

-------
                         ORGANIZATION OF RECORDS

     Record 1 is entered once, occupying one line.  Record 2 will use as
many lines as needed to input NOSBG pairs of SEG(K)-RM(K); eight pairs may be
entered per line.  Records 3 and 4 are for plots from predicted data.  Each
will be entered once and occupy one line apiece.  Any number of plots from
predicted data can be printed by repeating Records 3 and 4.

     To print plots from observed data, skip Records 3 and 4 and input
Record 5.  Record 5 is entered once and occupies one line.  If IUNIT equals
five or zero, use Record 6 and skip Record 7.  Record 6 will use as many
lines as necessary to enter NOOBS pairs of RIVMIL(K)-VALUE(K)  (four pairs per
line).  If IUNIT equals 82-89, skip Record 6 and use Record 7.  Record 7 will
be entered once.  Any number of plots from observed data can be printed by
repeating Card Groups 5 and 6 or 5 and 7.
2.3.3  WASP3 Data Group Tables
                               DATA GROUP A
RECORD
1













2
3
4


VARIABLE
MODEL
ISER
I RUN
NOSBG
NOSYS
LISTG

LISTC

ICRD
DAY
HR
MIN
TITLE
TITLE
TITLE
SYSBY(1 )
SYSBY(2)
•
•
•
SYSBY(K)
FORMAT
15
15
15
15
15
15

15

15
F5.0
1X,F2.0
F2.0
5A4
20A4
20A4
12
12
•
•
*
12
COLUMN
1-5
6-10
1 1-15
16-20
21-25
26-30

31-35

36-40
41-45
47-48
49-50
61-80
1-80
1-80
1-2
3-4
•
•
•
SHORT DEFINITION
Model designation.
Series designation.
Run number.
Number of segments.
Number of systems.
Echo print suppression for
B, C, D, E.
Echo print suppression for
F, G, H, I, J •
File which contains flows.
Day to begin reading from file (day).
Hour to begin reading from file (hr) .
Min to begin reading from file (min) .
"A: Model options".
Desc. of aquatic system.
Desc. of simulation.
System bypass options.
K = NOSYS

ORGANIZATION OF RECORDS:
III  HI  HI  111
                                    201

-------
                               DATA GROUP B.1
RECORD
1



2


3















4



VARIABLE
IROPT
NOR

TITLE
SCALR

CONVR
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
*
BR(K)
IR(K)
JR(K)
RBY(1 )
RBY(2)
•
RBY(NOSYS)
TYPE
15
15

5A4
F10.0

F10.0
F10.0
15
15
F10.0
15
15
F10.0
15
15
F10.0
15
15
*
F1 0.0
15
15
12
12
•
12
COLUMN
1-5
6-10

61-80
1-10

11-20
1-10
11-15
16-20
21-30
31-35
36-40
41-50
51-55
56-60
61-70
71-75
76-80
.
.
.
.
1-2
3-4
•
•
SHORT DEFINITION
Exchange option = 1 .
Number of exchange coeffi-
cients.
11 B: Exchanges".
Scale factor for exchange
coefficients
Units conversion factor.
Exchange coefficients.
Mixing segment K, K=1
Mixing segment K, K=1
K = 2


K = 3


K = 4


*
K = NOR


Exchange bypass option for
each system.
K = NOSYS

ORGANIZATION OF RECORDS:
 111  111  |3|(NOR/4)|3|   |_4|
                                     202

-------
                               DATA GROUP B.2
RECORD
1
2
3





4
5





6
VARIABLE
IROPT
NOR
TITLE
SCALR
CONVR
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
BR(K)
IR(K)
JR(K)
•
•
•
BR(K)
IR(K)
JR(K)
NOBRK
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
•
•
RT(K)
T(K)
RBY(1)
RBY(2)
•
•
•
RBY(NOSYS)
FORMAT
15
15
5A4
F10.0
F10.0
F10.0
15
15
F10.0
15
15
F10.0
15
15 .
F10.0
15
15
•
•
•
F10.0
15
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
12
12
•
•
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-15
16-20
21-30
31-35
36-40
41-50
51-55
56-60
61-70
71-75
76-80
•
•
•
*
•
•
1-5
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
•
•
1-2
3-4
•
•
•
•
SHORT DEFINITION
Exchange option = 2.
No. of exchange coefficients.
"B: Exchanges".
Scale factor for exch. coeff.
Units conversion factor.
Bulk exchange coefficients.
Mixing segment K.
Mixing segment K, K = 1
K = 2
K = 3
K = 4
•
•
•
K = NOR
Number of values in the time
function.
Value of piecewise lin.
approx. time in days; K = 1
K = 2
K = 3
K = 4
•
•
K = NOBRK
Exchange bypass option for
each system.
ORGANIZATION OF RECORDS:
\l\2\  |3|(NOR/4)|3|  |_4|  |51 (NOBRK/4) |51  |6_|
                                      203

-------
                               DATA GROUP B.3
RECORD
1


2

3


4










5


VARIABLE
IROPT
NOR
TITLE
SCALR
CONVR
IR(I)
JR(I)
NOBRK(I)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
•
RT(K)
T(K)
RBY(1 )
RBY(2)
RBY(NOSYS)
FORMAT
15
15
5A4
F10.0
F10.0
15
15
15
F10.0
, F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
F10.0
F10.0
12
12
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5
6-10
11-15
1-10
1 1-20
21-30
31-40
41-50
51-60
61-70
71-80
•
.
.
1-2
3-4
•
SHORT DEFINITION
Exchange option =3.
No. of exchange coefficients.
" B : Exchanges " .
Scale factor for exch. coeff.
Units conversion factor.
Mixing segment K.
Mixing segment K.
No. of values and times.
value of piecewise lin.
approx. time in days; K = 1
K = 2

K = 3

K = 4

•
K = NOBRK

Exchange bypass option for
each system.

ORGANIZATION OF  RECORDS:
111  111  111  |4|(NOBRK/4)|4|  |3j  J4 1 (NOBRK/4) |4 1
                                                      |_3_|  |4 1 (NOBRK/4) |4 1  |5_|
                                         NOR
                                      204

-------
                               DATA GROUP B.4
RECORD
1


2

3


















4



VARIABLE
IROPT
NOR
TITLE
SCALR
CONVR
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
•'
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
RBY(1 )
RBY(2)
,
RBY(NOSYS)
FORMAT
15
15
5A4
F10.0
F10.0
F10.0
F1 0.0
F5.0
F5.0
15
15
F10.0
F10.0
F5.0
F5.0
15
15
•
F10.0
F10.0
F5.0
F5.0
15
15
12
12
*
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-20
21-25
26-30
31-35
36-40
41-50
51-60
61-65
66-70
71-75
76-80
•
.
.
*



1-2
3-4
m

SHORT DEFINITION
Exchange option = 4.
No. of exchange coefficients.
"B: Exchanges".
Scale factor for exch. coeff.
Units conversion factor.
Dispersion factor; K = 1
Cross sectional area.
Characteristic mixing length.
Characteristic mixing length.
Mixing segment K (upstream) .
Mixing segment K (downstream) .
K = 2





•
K = NOR

Continue until all exchange
coefficients have been
listed.

Exchange bypass option for
each system.


ORGANIZATION OF RECORDS:





|T|  |||  |3|(NOR/2)|3|  |I|
                                     205

-------
                              DATA GROUP B.5
RECORD
1
2
3



4
5





6
VARIABLE
IROPT
NOR
TITLE
SCALR
CONVR
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
•
•
•
E(K)
A(K)
IL(K)
JL(K)
IR(K)
JR(K)
NOBRK
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
•
•
RT(K)
T(K)
RBY(1 )
RBY(2)
•
•
RBY(NOSYS)
FORMAT
15
15
5A4
F10.0
F10.0
F10.0
F10.0
F5.0
F5.0
15
15
F10.0
F10.0
F5.0
F5.0
15
15
•
•
•
r F10.0
F10.0
F5.0
F5.0
15
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
12
12
•
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-20
21-25
26-30
31-35
36-40
41-50
51-60
61-65
66-70
71-75
76-80
•
•
•
•
•
*
1-5
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
•
•
1-2
3-4
•
•
SHORT DEFINITION
Exchange option =5.
No. of exchange coefficients.
" B : Exchanges " .
Scale factor for each coeff.
Units conversion factor.
Dispersion factor,' K = 1
Cross sectional area.
Characteristic mixing length.
Characteristic mixing length.
Mixing segment K (upstream).
Mixing segment K (downstream)
K = 2
•
•
•
K = NOR
No. of values and times
Value of piecewise lin.
approx. time in days; K «• 1
K » 2
K = 3
K = 4
•
•
K = NOBRK
Exchange bypass option for
each system.
ORGANIZATION OF RECORDS:
Illll  |3|(NOR/2)|3|
                          |5|(NOBRK/4)|5|





                                     206

-------
                               DATA GROUP B.6
RECORD
1
2
3
4





5
6
VARIABLE
IROPT
NOR
TITLE
SCALR
CONVR
IR(K)
JR(K)
NOBRK(K)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
RT(K)
T(K)
•
•
RT(K)
T(K)
A(K)
IL(K)
JL(K)
RBY(1 )
RBY(2)
•
•
•
RBY(NOSYS)
TYPE
15
It
5A4
F10.0
F10.0
15
15
15
F10.0
F10.0
F1 0.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
F10.0
F10.0
F10.0
12
12
•
•
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5
6-10
11-15
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
*
•
1-10
11-20
21-30
1-2
3-4
*
•
•
SHORT DEFINITION
Exchange option = 6.
No. of exchange coefficients.
"B: Exchanges".
Scale factor for exch. coeff.
Units conversion factor.
Mixing segment K (upstream) .
Mixing segment K (downs team)
No. of times in the time func
Value of broken line approx;
K = 1
Time at breaks (in days)
K = 2
K = 3
K = 4
•
•
K = NOBRK
Cross sectional area.
Characteristic mixing length.
Characteristic mixing length.
Exchange bypass options for
each system.
ORGANIZATION OF RECORDS:





ITU I   |3|4|(NOBRK/4) |4|5|   | 3 |4 | (NOBRK/4 ) |4|5
|3|4|(NOBRK/4)
                                      NOR
                                      207

-------
                      DATA GROUP C. 1 , C.2, C.3, C.4
RECORD
1


2

3








VARIABLE
IVOPT
NOV
TITLE
SCALV
CONW
VOL(K)
VOL(K)
VOL(K)
VOL(K)
VOL(K)
VOL(K)
VOL(K)
VOL(K)
•
*
VOL(K)
FORMAT
15
15
5A4
E10.3
11-20
F10.0
F10.0
F1 0.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
F10.0
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
SHORT DEFINITION
Volume option number.
Number of volumes read.
"C: Volumes."
Scale Factor.
Units conversion factor.
Volume of segment (K); K = 1
K = 2
K = 3
K = 4
K = 5
K = 6
K = 7
K = 8
•
K = NOV
ORGANIZATION OF RECORDS;
IIHI  |3|(NOV/8)|3
                        DATA GROUP C.4 (if NOV=0)
RECORD
1
VARIABLE
IVOPT
NOV
TITLE
FORMAT
15
15
5A4
COLUMN
1-5
6-10
61-80
SHORT DEFINITION
Volume option number.
Number of volumes read = 0.
"C: Volumes."
ORGANIZATION OF RECORDS:
 111
                                     208

-------
                               DATA GROUP D.1
RECORD
1


2

3
















4



VARIABLE
IQOPT
NOQ
TITLE
SCALQ
CONVQ
BQ(K)

IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
•
BQ(K)
IQ(K)
JQ(K)
QBY(K)

QBY(K)
QBY(K)
FORMAT
15
15
5A4
E10.3
11-20
F1 0.0

15
15
F10.0
15
15
F10.0
15
I 15
F10.0
15
15
*
F10.0
15
15
12

12
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10

11-15
16-20
21-30
31-35
36-40
41-50
51-55
56-60
61-70
71-75
76-80
•
.
.
.
1-2

3-4
^
SHORT DEFINITION
Data input option number.
Number of flows.
"D: Flows".
Scale factor for flows.
Units conversion factor.
Flows between segment IQ(K)
and JQ(K); K = 1
Upstream segment.
downstream segment.
K = 2


K = 3


K = 4


•
K = NOV


Flow bypass option for
system K; K = 1
K = 2
K = NOSYS
ORGANIZATION OF RECORDS
 111  \2\  |3|(NOQ/4)|3|   |l|
                                     209

-------
                              DATA GROUP D.2
RECORD
1
2
3





4
5





6
VARIABLE
IQOPT
NOQ
TITLE
SCALQ
CONVQ
BQ(K)
IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
BQ(K)
IQ(K)
JQ(K)
•
•
•
BQ(K)
IQ(K)
JQ(K)
NOBRK
QT(K)
T(K)
QT(K)
T(K)
QT(K)
T(K( J
QT(K)
T(K) J
*
•
QT(K)
T(K)
QBY(K)
QBY(K)
•
•
QBY(K)
FORMAT
15
15
5A4
E10.3
E10.3
F10.0
15
15
F10.0
15
15
F1 0.0
15
15
F10.0
15
15
•
•
•
F1 0.0
15
15
15
F10.0
F10.0
F1 0.0
F10.0
F1 0.0
F10.0
F10.0
F10.0 J
•
•
F10.0 n
F10.0
12
12
•
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-15
16-20
21-30
31-35
36-40
41-50
51-55
65-60
61-70
71-75
76-80
•
•
•
•
•
•
1-5
1-10
11-20
21-30
31-40
41-50
41-60
61-70
71-80
•
•
•
•
1-2
3-4
*
•
*
SHORT DEFINITION
Data input option number.
Number of flows.
"D: Flows".
Scale factor for flows.
Units conversion factor.
Ratio of flow between
seg. IQ(K) and JQ(K); K == 1
Upstream segment.
Downstream segment.
K = 2
K = 3
K = 4
•
•
•
K = NOV
NO. of values and times.
Value of piecewise lin. appx.
Time in days; K = 1
K = 2
K = 3
K = 4
•
•
K = NOBRK
Flow bypass option for
system K; K = 1
K = 2
•
•
K = NOSYS
ORGANIZATION OF RECORDS:





IHII  J3|(NOQ/4)|3|  |T|  |5|(NOBRK/4) |5
                                     210

-------
                               DATA GROUP D.3
RECORD
1
2
3
4





5
VARIABLE
IQOPT
NOQ
TITLE
SCALQ
CONVQ
IQ(D
JQ(I)
NOBRK(I)
QT(K)
T(K)
QT(K)
T(K)
QT(K)
T(K)
QT(K)
T(K)
*
*
QT(K)
T(K)
QBY(K)
QBY(K)
*
•
QBY(K)
FORMAT
15
15
5A4
E10.3
E10.3
15
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
*
F10.0
F10.0
12
12
•
*
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5
6-10
11-15
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
*
•
*
•
1-2
3-4
•
•
•
SHORT DEFINITION
Data input option number.
Number of flows.
"D: Flows".
Scale factor for flows.
Units conversion factor.
Upstream segment.
Downstream segment.
No. of values and times.
Value of piecewise lin. appx.
Time in days; K = 1
K = 2
K = 3
K = 4
•
*
K = NOBRK
Flow bypass option for
system K; K = 1
K = 2
•
•
K = NOSYS
ORGANIZATION OF RECORDS:





III  111  111  |4|(NOBRK/4)|4|
|3j  |4|(NOBRK/4) \4\ . .  . 13j  |4J(NOBRK/4) |4J   |E>J
                                         NOQ
                                      211

-------
                               DATA GROUP D.4
RECORD
1


2

3




4
5

VARIABLE
IQOPT
NOQ
TITLE
SCALQ
CONVQ
NSEA

JSEA(I)
JSEA(I)
*
JUNSEG(I)
JUNSEG(I)
QBY(K)
QBY(K)
•
QBY(K)
FORMAT
15
15
5A4
E10.3
E10.3
15

15
15
•
15
15
12
12
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5

6-10
11-15
*
1-5
6-10
1-2
3-4
•
;
SHORT DEFINITION
Data input option number.
Number of flows.
"D: Flows".
Scale factor for flows.
Units conversion factor.
Number of downstream boundary
segments.
Segment numbers for down-
stream boundaries.
(1-NSEA)
Segment number for hydro-
dynamic junction I.
Flow bypass option for
system K; K = 1
K = 2
•
K = NOSYS
ORGANIZATION OF RECORDS:





 111  III   III  111  II
                                      212

-------
                               DATA GROUP D.5
RECORD
1


2

3




4
5

VARIABLE
IQOPT
NOQ
TITLE
SCALQ
CONVQ
NSEA

JSEA(I)
JSEA(I)
*
JUNSEG(I)
JUNSEG(I)
QBY(K)
QBY(K)
•
QBY(K)
FORMAT
15
15
5A4
E10.3
E10.3
15

15
15
•
15
15
12
12
•
12
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5

6-10
11-15
•
1-5
6-10
1-2
3-4
•
;
SHORT DEFINITION
Data input option number.
Number of flows.
"D: Flows".
Scale factor for flows.
Units conversion factor.
Number of downstream boundary
segments.
Segment numbers for down-
stream boundaries.
( 1 -NSEA)
Segment number for hydro-
dynamic junction I.
Flow bypass option for
system K; K = 1
K = 2
•
K = NOSYS
ORGANIZATION OF RECORDS:





ill  111   111  |4|  |5|
                                     213

-------
                             DATA GROUP E.1
RECORD
1
2
3






VARIABLE
IBCOP(K)
NOBC(K)
TITLE
SCALB
CONVB
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
•
•
*
BBC(K)
IBC(K)
FORMAT
15
15
5A4
E10.3
E10.3
F10.0
15
F10.0
15
F10.0
15
F10.0
15
F10.0
15
•
•
•
F10.0
15
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-15
h 16-25
26-30
31-40
41-45
46-55
56-60
61-70
71-75
•
•
*
*
•
SHORT DEFINITION
Data input options.
No. of boundary conditions.
"E: Boundary Concentrations".
Scale factor.
Units conversion factor.
Boundary cond. of
segment IBC(K); K = 1
Segment number
K = 2
K = 3
K = 4
K = 5
•
•
•
K = NOQ
ORGANIZATION OF RECORDS  FOR E.1
 |TJ||  |3|(NOBC(K)/5)
Sequence of Records  for "E"  Card Groups;
 | E1 , E2, or E3 |  |E1 ,  E2,  or E3 |... |E1 , E2, or E3
                       NO SYS
                                     214

-------
                               DATA GROUP E.2
RECORD
1
2
3






4
5





VARIABLE
IBCOP(K)
NOBC(K)
TITLE
SCALE
CONVB
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
BBC(K)
IBC(K)
•
•
•
BBC(K)
IBC(K)
NOBRK
BCT(K)
T(K)
BCT(K)
T(K)
BCT(K)
T(K)
BCT(K)
T(K)
•
•
BCT(K)
T(K)
FORMAT
15
15
5A4
E10.3
E10.3
P10.0
15
F10.0
15
F10.0
15
F10.0
15
F10.0
15
•
•
•
F10.0
15
15
F1 0.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
COLUMN
1-5
6-10
61-80
1-10
11-20
1-10
11-15
16-25
26-30
31-40
41-45
46-55
56-60
61-70
71-75
•
•
•
•
•
1-5
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
•
•
SHORT DEFINITION
Data input options.
No. of boundary conditions.
"E: Boundaries".
Scale factor.
Units conversion factor.
Ratio of bound, cond. for
segment IBC(K); K = 1
Segment number
K = 2
K = 3
K = 4
K = 5
•
•
•
K = NOQ
No. of values and times.
Value of broken lin. appx.
Time at breaks (days); K = 1
K = 2
K = 3
K = 4
•
•
K = NOBRK
ORGANIZATION  OF RECORDS:
|l_|_2|  |3|(NOBC(K)/5) |3 |  |_4_|  |5 | (NOBRK(K)/4) |s|




Sequence  of  Records for  "E" Card Groups;







| E1 , E2,  or  E3 |  | E1 , E2, or E3 | ... | E1 , E2, or E3










                       NO SYS
                                      215

-------
                             DATA GROUP E.3
RECORD
1
2
3
4





VARIABLE
IBCOP(K)
NOBC(K)
TITLE
SCALE
CONVB
IBC(I)
NOBRK(I)
BCT(K)
T(K)
BCT(K)
T(K)
BCT(K)
T(K)
BCT(K)
T(K)
•
•
BCT(K)
T(K)
FORMAT
15
15
5A4
E10.3
E10.3
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
COLUMN
1-5
6-10
61-80
1-10
11-20
1-5
6-10
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
»
•
•
•
SHORT DEFINITION
Data input options.
No. of boundary conditions.
"E: Boundary Concentrations".
Scale factor.
Units conversion factor.
Boundary segment number.
No. of values and times. •
Value of broken lin. appx.
Time at breaks (days); K = 1
K = 2
K = 3
K * 4
•
•
K = NOBRK
ORGANIZATION OF RECORDS:
III  111   HI  |4|(NOBRK/4)|4|  |I|  |4J(NOBRK/4) J4J
|3|  |4|(NOBRK/4)|4
                                      NOBC(K)
Sequence of Records for "E" Card Groups;
 E1 , E2, or E3|  |E1, E2, or E3|...|E1, E2, or E3
                      NO SYS
                                     216

-------
                                 DATA GROUP F.1
RECORD
1



2

3












VARIABLE
IWKOP(ISYS)
NOWK(ISYS)
LOPT
TITLE
SCALW
CONVW
BWK(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
*
BWC(K)
IWC(K)
FORMAT
15
15
15
5A4
E10.3
E10.3
F10.0
15
F10.0
15
F10.0
15
F10.0
15
F10.0
15
•
F10.0
15
COLUMN
1-5
6-10
11-15
61-80
1-10
11-20
1-10
11-15
16-25
26-30
31-40
41-45
46-55
56-60
r 61-70
71-75
*
.
.
SHORT DEFINITION
Option number = 1
Number of forcing functions.
Indicates runoff loads in F.4
"F: Waste Loads" .
Scale factor for forcing func
Units conversion factor.
Forcing function; K = 1
Segment number
K = 2

K = 3

K = 4

K - 5

*
K = NOWK

ORGANIZATION OF RECORDS for  F.1
 |TJI|  |3|(NOWK/5)|3
                                    217

-------
                                 DATA GROUP F.2
RECORD
1
2
3






4
5





VARIABLE
IWKOP(ISYS)
NOWK(ISYS)
LOPT
TITLE
SCALW
CONVW
BWK(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
BWC(K)
IWC(K)
•
•
•
BWC(K)
IWC(K)
NOBRK
WKT(K)
T(K)
WKT(K)
T(K)
WKT(K)
T(K)
WKT(K)
T(K)
•
•
WKT(K)
T(K)
FORMAT
15
15
15
5A4
E10.3
E10.3
F1 0.0
15
F10.0
15
F10.0
15
r F10.0
15
F10.0
15
•
•
•
F10.0
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
COLUMN
1-5
6-10
11-15
61-80
1-10
11-20
1-10
11-15
16-25
26-30
31-40
u 41-45
46-55
56-60
61-70
71-75
•
•
•
•
•
1-5
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
*
•
•
SHORT DEFINITION
Option number = 2
Number of forcing functions.
Indicates runoff loads in F.4
"F: Waste Loads".
Scale factor for forcing func
Units conversion factor.
Ratio of forcing function
Segment number; K = 1
K = 2
K = 3
K = 4
K = 5
•
•
•
K = NOWK
No. of values and times.
Value of forcing functions.
Time in days; K = 1
K = 2
K = 3
K = 4
•
•
K = NOBRK
ORGANIZATION OF RECORDS:




|TH|  |3[(NOWK/3)|3|  |J|  |5|(NOBRK(K)/4)|5|




Sequence of Records for  "F"  Card Groups;
 F1 , F2 , or F3    F1 ,  F2 ,  or F3  . . .  F1 , F2 , or F3
                       NO SYS
                                     218

-------
                                 DATA GROUP F.3
RECORD
1



2

3

4










VARIABLE
IWKOP(ISYS)
NOWK(ISYS)
LOPT
TITLE
SCALW
CONVW
IWK(K)
NOBRK(K)
WKT(K)
T(K)
WKT(K)
T(K)
WKT(K)
T(K)
WKT(K)
T(K)
•
•
WKT(K)
T(K)
FORMAT
15
15
15
5A4
E10.3
E10.3
15
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
•
F10.0
F10.0
COLUMN
1-5
6-10
11-15
61-80
1-10
11-20
1-5
6-10
1-10
11-20
21-30
31-40
h 41-50
51-60
61-70
71-80
•
•
•
•
SHORT DEFINITION
Option number = 3
Number of forcing functions.
Indicates runoff loads in F.4
"F: Waste Loads".
Scale factor for forcing func
Units conversion factor.
Segment number.
Number of breaks.
Value of forcing functions.
Time in days; K - 1
K - 2

K - 3

K = 4

•
•
K = NOBRK

ORGANIZATION OF RECORDS:





111  HI   111  |4|(NOBRK/4TT4|
||  [4 | (NOBRK/4) |4 |
                                                        ||| >4 1 (NOBRK/4) |4 1
                                       NOWK
Sequence of Records for  "F" Card Groups;
 | F1 , F2, or F3 I  | F1 , F2, or F3 | ... | F1 ,  F2,  or  F3
                      NOSYS
                                    219

-------
                                 DATA GROUP F.4
RECORD
1


2

3



4






VARIABLE
NOWKS
NPSDAY

SCALN
CONVN
INPS(J)
INPS(J)
INPS(J)
INPS(J)
KT1
KT2
KPRT(I)
KPRT(I)
KPRT(I)
•
KPRT(I)
FORMAT
15
15

F10.0
F10.0
15
15
15
15
F5
F5
F5
F5
F5
•
F5
COLUMN
1-5
6-10

1-10
11-20
1-5
6-10
11-15
75-80
1-5
6-10
11-15
16-20
21-25
*
75-80
SHORT DEFINITION
Number of runoff loads.
Time in runoff file corre-
sponding to TZERO.
Scale factor for runoff loads
Units conversion factor.
Runoff segment 1 .
Runoff segment 2.
Runoff segment 3.
Runoff segment 16.
Initial runoff print day.
Final runoff print day.
Indicates print system 1 .
Indicates print system 2.
Indicates print system 3.
•
Indicates print system 14.
ORGANIZATION OF RECORDS:
 111  111   |3|(NOWKS/16) |3|  |_4_|
                                      220

-------
                                  DATA GROUP G
RECORD
1

2








3











VARIABLE
NOPAM
TITLE
SCALP(K)
SCALP(K)
SCALP(K)
SCALP(K)
SCALP(K)
SCALP(K)
SCALP(K)
SCALP(K)
SCALP (K)
ANAME(K)
PARAM(ISEG,K)
ANAME(K)
PARAM(ISEG,K)
ANAME(K)
PARAM(ISEG,K)
ANAME(K)
PARAM(ISEG,K)
ANAME(K)
PARAM(ISEG,K)
•
ANAME(K)
PARAM(ISEG,K)
FORMAT
15
5A4
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.0
E10.3
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
*
F10.0
F10.0
COLUMN
1-10
61-80
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
71-80
1-5
6-15
16-20
21-30
31-35
36-45
56-50
51-60
61-65
66-75
•
;
SHORT DEFINITION
No. of parameters required.
"G: Environmental Parameters".
Scale factor group K.
K = 2
K = 3
K = 4
K = 5
K = 6
K = 7
K = 8
K = NOPAM
Opt. descriptive name; K = 1
Value of parameter ANAME(K) .
K = 2

K = 3

K = 4

K = 5

•
K = NOPAM
ORGANIZATION OF RECORDS:
|T|  |2|(NOPAM/8)
                     |3|(NOPAM/5) \3\
                                     221

-------
                                  DATA GROUP H
RECORD
1
2






VARIABLE
NCONS
TITLE
ANAME(K)
CX)NST(K)
ANAME(K)
CONST (K)
ANAME(K)
CONST(K)
ANAME(K)
CONST (K)
ANAME(K)
CONST(K)
•
•
ANAME(K)
CONST(K)
FORMAT
15
5A4
A5
F10.0
AS
F10.0
A5
F10.0
AS
F10.0
AS
F10.0
•
•
F10.0
F10.0
COLUMN
1-10
61-80
1-5
6-15
16-20
21-30
31-35
36-45
56-50
51-60
61-65
66-75
•
•
•
•
SHORT DEFINITION
No. of constants required.
HH: Chemical Constants".
Opt. descriptive name; K = 1
Value of constant ANAME(K) .
K = 2
K » 3
K = 4
K = 5
•
•
K = NOPAM
ORGANIZATION OF RECORDS:





. |7|  J2|(NCONS/5) \2\
                                DATA GROUP I
RECORD
1
2
3





VARIABLE
NFUNC
TITLE
ANAME(I)
NOBRK(I)
VALT(K)
T(K)
VALT(K)
T(K) I
VALT(K)
T(K)
VALT(K)
T(K)
•
•
VALT(K)
T(K)
FORMAT
IS
5A4
A5
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
t
F10.0
F10.0
COLUMN
1-5
61-80
1-5
6-10
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
•
•
SHORT DEFINITION
No. time functions required.
"I: Time Functions".
Optional descriptive name.
Number breaks used .
Value of time functions.
Time in days; K = 1
K = 2
K = 3
K = 4
•
•
K = NOBRK
ORGANIZATION OF RECORDS:
111  111  |3|(NOBRK/4) |3| \2\ |3|(NOBRK/4)
                                                 . |^|  |3|(NOBRK/4) |3
                                   NFUNC




                                     222

-------
                                  DATA GROUP J
RECORD
1
2






VARIABLE
TITLE
ANAME(K)
C(ISYS,K)
ANAME(K)
C(ISYS,K)
ANAME(K)
C(ISYS,K)
ANAME(K)
C(ISYS,K)
ANAME(K)
C(ISYS,K)
•
•
ANAME(K)
C(ISYS,K)
FORMAT
5A4
A5
F10.0
A5
F10.0
A5
F1 0.0
A5
F10.0
A5
F10.0
•
•
F1 0.0
F10.0
COLUMN
61-80
1-5
6-15
16-20
21-30
31-35
36-45
56-50
51-60
61-65
66-75
•
•
•
•
SHORT DEFINITION
"J: Initial Concentrations".
Opt. descriptive name,- K = 1
Value of constant ANAME(K) .
I K = 2
K = 3
K = 4
K = 5
•
•
K = NOSEG
ORGANIZATION OF RECORDS
 111   |2|NOSEG/4|2
                         NO SYS
                                DATA GROUP K
RECORD
1

2


VARIABLE
CMAX(K)
CMAX(K)
CMAX(K)
CMAX(K)
CMIN(K)
CMIN(K)
CMIN(K)
•
CMIN(K)
FORMAT
F1 0.0
F10.0
F10.0
F10.0
F1 0.0
F1 0.0
F1 0.0
*
F1 0.0
COLUMN
1-10
11-20
21-30
71-80
1-10
1 1-20
21-30
•
71-80
SHORT DEFINITION
Maximum concentration for
systems 1 through NOSYS.
K = NOSYS
K = 1
K = 2
K = 3
•
Minimum concentrations
for systems 1 through
NOSYS

K = NOSYS
ORGANIZATION OF RECORDS:
|(NOSYS/8)
                  |2|(NOSYS/8) |2
                                      223

-------
                                   DATA GROUP L.1
RECORD
1

2




3















VARIABLE
NPR1NT
TITLE
PRINT(I)
TPRINT(I)
«
PRINK I)
TPRINT(I)
I SYS ( 1 )
ISEG(1 )
I SYS ( 2 )
i SEX; (2)
•
•
*
•
•
•
•
*
*
.
FORMAT
120
5A4
F1 0.0
F1 0.0
•
*
i*
F1 0.0
F10.0
13
13
13
13
*
.
•
*
»
,
.
•
•
*
ISYS(8) | 13
ISEG(8) | 13
COLUMN
1-20
61-80
1-10
1 1-20
•
*
61-70
71-80
1-3
4-6
7-9
10-12
13-15
16-18
19-21
22-24
25-27
28-30
31-33
34-36
37-39
40-42
43-45
46-48
SHORT DEFINITION
Number of print intervals.
"L: Sys-Seg display control".
Print interval (day) .
Final day for application of
PRINT(I) (day).
Print interval (day) .

System segment















ORGANIZATION OF RECORDS:





 |T|   |2|(NPRINT/4)|2|   |T
                                   DATA GROUP L.2
RECORD
1

2





3


VARIABLE
NPRINT
TITLE
PRINT(I)
TPRINT(I)
•
*
PRINT
(N PR INT)
FORMAT
120
5A4
F1 0.0
F10.0
•
F1 0.0

TPRINT(I) I F10.0
IMCHK | 13
(=0)

COLUMN
1-20
61-80
1-10
1 1-20
•
*
61-70

71-80
1-3

MSYS [ 13 ]_ 4-6
SHORT DEFINITION
Number of print intervals.
"L: Sys-Seg display control".
Print interval (day) .
Final time for application of
PRINT(I) (day).



Mass check for system SYS.

System number.
ORGANIZATION OF PECORD.V ;





ITI  |^]_(NPRIN'ln/4"rj 2_ j  |_3 |
                                         224

-------
                                  DATA GSOUP M
RECORD
1
2
3
4





VARIABLE
INTYP
NEGSLN
ADFAC
TITLE
SCALT
TZERO
NOSTEP
DT(K)
TIME(K)
DT(K)
TIME(K)
DT(K)
TIME(K)
DT(K)
TIME(K)
•
•
DT(K)
TIME(K)
FORMAT
12
12
F6.0
5A4
E1 0.4
E10.4
15
F1 0.0
F10.0
F10.0
F10.0
F10.0
F10.0
F1 0.0
F10.0
*
•
F10.0
F10.0
COLUMN
1-2
3-4
5-10
61-80
1-10
11-20
1-5
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
•
•
SHORT DEFINITION
Integration option.
Negative solution option.
Advection factor.
"M: Integration Control".
Time warp scale factor.
Starting simulation time.
No. integration step sizes.
Integration step size; K = 1
Time DT(K) will be used (day).
K = 2
K = 3
K = 4
•
•
K = NOSTEP
ORGANIZATION OF RECORDS:
111  111  111  |4|(NOSTEP/4)|4,
                                      225

-------
                                 DATA GROUP N
RECORD
1








2








3
VARIABLE
ANAME( 1 )
ANAME(2)
ANAME(3)
ANAME(4)
ANAME(5)
ANAME(6)
ANAME(7)
ANAME(S)
TITLE
VARNO
SEG(K)
SEB(K)
SEG(K)
SEG(K)
SEG(K)
SEG(K)
SEG(K)
SEG(K)
Blank
FORMAT
AS
AS
AS
AS
AS
AS
AS
AS
4A4
13
13
13
13
13
13
13
13
13

COLUMN
1-8
8-16
17-24
25-32
33-40
41-48
49-56
57-64
65-80
1-3
4-6
7-9
10-12
13-16
16-18
19-21
22-24
25-27
1-80
SHORT DEFINITION
Descriptive name for display
variable K.






"N: Print Tablesd".
Number of desired variable.
Segment no. to be displayed.
(Variable number and
segment number.)






ORGANIZATION OF RECORDS:
                III
    As many tables
     as desired
 111  l2| •••  I2|  111
    As many tables
     as desired
 1   2
2   3
    As many tables
     as desired
                                	  NOSYS
                                     226

-------
                                 DATA GROUP O
RECORD
1


2

3


4
VARIABLE
NSPLT
VARNO
TITLE
PMIN
PMAX
SEG(1)
SEG(2)
•
SBG(NSPLIT)
(blank)
FORMAT
12
12
5A4
F10.0
F10.0
13
13
•
13

COLUMN
1-2
3-4
61-80
1-10
11-20
1-3
4-6
•
•
1-80
SHORT DEFINITION
No. segments to be plotted.
Position of desired variable.
"O: Time PLots" .
Minimum value for this plot.
Maximum value for this plot.
Segment no. to be plotted.


Blank
ORGANIZATION OF RECORDS:
    As many plots as the user
     wants from this system
    As many plots as the user
     wants from this system
NOSYS
    As many plots as the user
     wants from this system
                                     227

-------
DATA GROUP P
RECORD
1


2










3






4









5







VARIABLE
RM1
RM2
TITLE
SEG(K)
RM(K)
SEG(K)
RM(K)
SEG(K)
RM(K)
SEG(K)
RM(K)
•
•
SEG(K)
RM(K)
MXTIM
IVAR
YSTR
YSTP
SYSOPT
OVRLAY
TITL1
TIM(1 )
TIM(2)
TIM(3)
TIM(4)
TIM(5)
SYMTAB( 1 )
SYMTAB(2)
SYMTAB(3)
SYMTAB(4)
SYMTAB(5)
FLAG
IUNIT
YSTR
YSTP
NOOBS
OVRLAY
TITL1
OBSSYM
FORMAT
F5.0
F5.0
5A4
15
F5.0
15
F5.0
15
F5.0
15
F5.0
•
•
15
F5.0
15
15
F5.0
F5.0
15
15
40A
F5.0
F5.0
F5.0
F5.0
F5.0
A1
A1
A1
A1
A1
15
15
F5.0
F5.0
15
15
40A
1A
COLUMN
1-5
6-10
61-80
1-5
6-10
r 11-15
16-20
f 21-25
26-30
71-75
76-80
•
•
*
•
1-5
6-10
1 1-15
16-20
21-25
26-30
31-70
1-5
6-10
11-15
16-20
21-25
26
27
28
29
30
1-5
6-10
11-15
16-20
21-25
26-30
31-70
71
SHORT DEFINITION
Minimum river mile value.
Maximum river mile value.
"P: Spatial Plots".
Segment number,- K = 1
River mile value for SEG(K) .
K = 2

K = 3

K = 4

•
•
K = NOSEG

No. of time selections.
Position of desired variable.
Minimum values.
Maximum values.
System number.
Flag to cause plot overlay.
Title for plot.
Time selections for this plot




Plot symbols.




Flag to indicate obs. data.
Unit device number = 5.
Mi nimum va lu e .
Maximum value.
No. obs. data points.
Flag to cause plot overlay.
Title for this plot.
Plot symbol.
    228

-------
                            DATA GROUP P (Continued)
RECORD
6





7
VARIABLE
RIVMIL(K)
VALUE(K)
RIVMIL(K)
VALUE(K)
RIVMIL(K)
VALUE(K)
RIVMIL(K)
VALUE(K)
•
•
RIVMIL(K)
VALUE(K)
FMT
FORMAT
F10.0
F10.0
F10.0
F1 0.0
F1 0.0
F10.0
F10.0
F10.0
•
•
F1 0.0
20A4
COLUMN
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•

1-80
SHORT DEFINITION
River mile location; K = 1
Obs.val. of var. RIVMIL(K)
K = 2
K = 3
K = 4
•
•
K = 5
Format specification
ORGANIZATION OF RECORDS  FOR  DATA GROUP P
|j_|  |2|(NOSEG/8) |2
                             or  1 5 |6 | (NOOBS/4) ]?!  or |f]7|
                       I1KI  or |5|6 | (NOOBS/4) \6\  or |5_J7|
                            or
                                     (NOOBS/4 ) 1 6 |  or 1 5 1 7 |
                                                                	As many
                                                                   spatial
                                                                   plots as
                                                                   the user
                                                                   wants
                                      229

-------
2.3.4  WASP3 Variable Definitions
     The following list defines the variables contained in the WASP3 COMMON.
COMMON is used by the Basic Water Quality Model,  WASP3, as the vehicle to
pass information from subroutine to subroutine within the program.  The
following is alphabetical listing of the COMMON variables, their definitions
and units, and location description.
VARIABLE
ADFAC

AIMASS
AOMASS
BBC(SY,BC)
BFUNC(TF)
BQ(S2)
BR( S2 )
BVOL(SG)*
BWK(SY,WK)
C(SY,SG)

CD(SY,SG)
CMAX(20)
CMIN(SY)*
CONST(CX)*
FOUND IN
COMMON
CPRINT

MASS
MASS
REAL
REAL
REAL
REAL
REAL
REAL
REAL

REAL
REAL
REAL
REAL
DEFINITION
Advection factor (0-0.5) .

Total mass of designated constituent advected
in.
Total mass of designated constituent advected
out.
Boundary condition intercepts.
Intercepts for the time variable functions
required for the WASPS kinetic subroutine.
Advective flow intercepts
Exchange coefficient intercepts.
Segment volumes.
Forcing function intercepts.
State variable or water quality concentration
array.
Derivative array*
stability criteria vector. The vector eon-
tains the maximum allowable segment con-
centration for each system. If any system
(usually because the integration steps ize
is too large), the simulation is terminated.
Not used in current version of WASP (although
user must include in his input data check).
Constants for use in the WASPB kinetic sub*
routine.
UNITS
unit-
less
kg
kg
mg/L
vari-
able
MCF/day
MCF/day
MCF
Ib/day
mg/L

rog ,,MCF
L day
mg/L
unit-
less
vari-
able
                                     230

-------
VARIABLE
DAY
DOTIME
DRTIME
DT
DTIME
DWKTIM
DVAR(MY,SY)
DVOL(MP,S6)
FILE30(MB,
M30)
PILE50(MB,
M50)
FILE? 0( MB,
M70)
PILE? 2 (MB,
M72)
PILE73(MB,
M73)
FILE75
(M75,1)
PILE80(SY,
20)
IBC(SY,BC)*
IBOCP(SY)*
POUND IN
COMMON
DAYIND
DAYIND
DAYIND
REAL
DUMP
DAYIND
DUMP
DUMP
SCRTCH
SCRTCH
SCRTCH
SCRTCH
SCRTCH
SCRTCH
SCRTCH
INTGR
INTGR
DEFINITION
Current day.
Time until next specified flow in piece-
wise linear function.
Time until next specified exchange in piece-
wise linear function.
Current integration time step.
Array that stores print times for tables.
Time until next specified load in piecewise
linear function.
Array that stores tables of constituents for
printing and plotting.
Array that stores tables of volumes.
Array that stores boundary conditions.
Array that stores loads.
Array that stores exchanges.
Array that stores advective flows.
Array that stores kinetic time functions.
Array that stores time steps.
Array that stores display variable names.
Contains the segment numbers for which boun-
dary conditions have been specified.
User selected forcing function input option
for each system. IBCOP(ISYS) flags the
boundary conditions for system ISYS as
UNITS
day
day
day
days
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
unitless
231

-------
VARIABLE
IDFRC(19)
IDISK
IDUMP(8,2)


IN

INITB
INPS(WK)
IPRNT

IQ(S2)*,
JQ(S2) *
FOUND IN
COMMON
INTGR
INTGR
INTGR


INTGR

INTGR
NFS COM


INTGR

INTGR
                      DEFINITION
 being constant in time (IBCOP(ISYS)=1)  or
 time-variable (IBC'OP(ISYS)= 2,3).

Used only in the DEC-PDP version as the re-
 cord address pointers for the direct
 access dump files.Not needed for the IBM
 370 version because sequential files are
 used.

When checked by the user in the kinetic sub-
 routine, WASPB, IDISK acts as internal pro-
 gram indicator that informs the user when a
 print interval has been reached, permitting
 the user to write the current state varia-
 bles or segment concentrations to auxiliary
 storage (disk).   Normally IDISK equals ze-
 ro, but at a print interval it is exter
 nally set to one; must be reset by the
 user before exiting the WASPB.

System - segment combinations to be printed
 out during the integration procedure.

Device number for reading input data.

Internal program indicator that permits the
 user to perform initialization or to exe-
 cute special code upon initial entry to
 the WASPB kinetic subroutine.  Initially
 equal to zero, INITB must be reset by the
 user in WASPB,

Input segment for nonpoint source load.
Not currently used.

Contain the segment numbers between which
  advective flow is to take place.  If the
  advective flow is positive, then JQ will
  contain the upstream segment number (from
  which flow is leaving) and IQ will contain
  the downstream segment number (to which
  flow will go).  If, however, the advective
  flow is negative, then JQ, will be consi-
  dered the downstream segment (flow to)
  and IQ will be considered the upstream
  segment (flow from).         	
                                                                   UNITS
unitless
unitless
unitless


unitless

unitless
                                                      unitless
unitless

-------
 VARIABLE
FOUND IN
COMMON
                       DEFINITION
 UNITS
IR(S2)*r
JR(S2)*

IREC
I SIM*
I SYS
ITCHCK

ITIMB(SY,
 BC)
ITIMF(TF)
INTGR


INTGR



INTGR


INTGR


INTGR

INTGR



INTGR
ITIMQ
ITIMR
ITIMV

ITIMW(SY,
 WK)
IVOPT*
IWK(SY,WK)*
INTGR



INTGR



INTGR

INTGR



INTGR



INTGR
Contain the segment numbers between which
  change is to take place.

Internal counter used to keep track of  the
  number ofprint intervals generated during
  the course of the simulation.

Simulation type.- currently only time
  variable is permitted.

System currently having its derivatives
  evaluated.

Not used in current version of WASP.

Used as a breakpoint counter for obtaining
  correct slope and intercept values for
  time-variable boundary conditions.

Used as a breakpoint counter for obtaining
  correct slope and intercept values for
  the time-variable functions required by
  the WASPB kinetic sub- routine.

Used as a breakpoint counter for obtaining
  correct slope and intercept values for
  time-variable advective flows.

Used as a breakpoint counter for obtaining
  correct slope and intercept values for the
  time-variable exchange coefficients.

 Not used in current version of WASP.

Used as a breakpoint counter for obtaining
  correct slope and intercept values for
  time-variable forcing function.

User selected volume input option.  1 =
  constant volumes; 2,3 = volumes adjusted
  for flow continuity.

Contains the segment number for which
  forcing functions have been specified
  (i.e., receiving water segments for wast';
  loads).
                                                      unit, less
unitless
                                                                  urn tless
                                                                  unitless
unitless
unitless
unitless
                                                                  unitless
unitless
unitless
unitless
                                   233

-------
VARIABLE
IWKOP(SY)*
LDAY
LISTC*
LISTG*
LOPT
MBC(SY,BC)
MFUNC(TF)
MQ(S2)
MR(S2)
MVOL(SG)
MXDMP
MXITER
MXSEG
MXSYS
NBCPSY
FOUND IN
COMMON
INTGR
DAYIND
INTGR
INTGR
NFS COM
REAL
REAL
REAL
REAL
REAL
INTGR
INTGR
POP
PDF
INTGR
DEFINITION
User selected forcing functions input option
for each system. IWKOP*ISYS) flags the
forcing functions for system ISYS as being
constant in time ( IWKOP(ISYS)=1 or time-
variable (IWKOP(ISYS)= 2,3).
Current day counter.
User selected option to print forcing func-
tion (waste load), kinetic constants, seg-
ment para- meters and miscellaneous kine-
tic time functions, and initial condition
input data.
User selected option to print exchange
coefficient, segment volume, advective
flow and boundary condition input data.
Option to read in nonpoint source loads.
Boundary condition slopes.
Slopes for the time-variable functions re-
quired for the WASPB kinetic subroutines.
Advective flow slopes.
Exchange coefficient slopes.
Not used in current version of WASP.
Blocking factor or the maximum number of
variables saved per segment at each
print.
Not used in current version of WASP.
Maximum number of segments.
Maximum number of systems.
Maximum number of forcing functions (waste
loads) permitted per system; set for a
particular WASP configuration in subrou-
tine WASP1 .
UNITS
unitLess
day
unitless
unitless
unitless
L . day
variable
MCF
day. day
MCF
day. day

unitless
unitless
unitless
unitless
unitless
23*4

-------
 VARIABLE
FOUND IN
COMMON
                      DEFINITION
 UNITS
NBRK30(BC)


NBRKSO(WK)


NBRK70(1)


NBRK72(1 )


NBRK73(TF)


NBRK75(1 )


NCONS*


NDAY

N EGSLN*
NBWDAY
NFUNC*
NFUNT(TF)
SCRTCH


SCRTCH


SCRTCH


SCRTCH


SCRTCH


SCRTCH


INTGR


DAYIND

INTGR
DAYIND
INTGR
REAL
Array that stores number of steps in
   boundary functions.

Array that stores number of steps in load
  functions.

Array that stores number of steps in ex-
  change functions.

Array that stores number of steps in flow
  functions.

Array that stores number of steps in kine-
  tic functions.

Array that stores number of steps in time
  step functions.

Number of constants (for use in the WASPB
  kinetic subroutine) read.

Integer set equal to current simulation.

Indicates whether the user has chosen to
  permit to compute negative water quality
  concentrations. (Example:  permit nega-
  tive D.O. deficit, i.e., supersatura-
  tion).  NEGSLN normally equal zero,
  will equal one, if user chooses to permit
  negative solutions.

Integer equal to one each time of a new
  simulation.

Number of time variable functions (for use
  in the WASPB kinetic subroutine) read.

Used if time variable functions (approxi-
  mated as piecewise linear functions of
  time) have been read for use in the WASPB
  kinetic subroutine.  NFUNT will contain
  the time at which the next break in the
  piecewise linear functions will occur, at
  which point it will be necessary to
  obtain new slopes (MFUNC) and intercepts
  (BFUNC).
unitless


unitless


unitless


unitless


unitless


unitless


unitless


day

unitless
day
unitless
day
                                    235

-------
VARIABLE
NOBC(SY)*

NOPAM*

NOSYS*

NOV*

NOWK(SY)*

NCWKS

NPSWK(SY,
WK)
NQT







NRT







NVOLT
NWKPSY



NWKS
POUND IN
COMMON
INTGR

INTGR

INTGR

INTGR

INTGR

N PS COM

N PS COM

REAL







REAL







REAL
INTGR



NPSCOM
DEFINITION
Number of boundary conditions read for each
system.
Number of segment parameters (for use in
the WASPB kinetic subroutine) read.
Number of systems or water quality consti-
tuents in the user's model.
Number of volumes (normally NOV equals
NOSEG).
Number of forcing functions read for each
system.
Number of nonpoint source loads used in
this simulation.
Nonpoint source load.

Used if the exchange coefficients are time-
variable (appproximated by a piecewise
linear functions of time) . NQT will
contain the time at which the next break
in the piecewise linear functions will
occur, at which point it will be neces-
sary to obtain new slopes (MRC) and
intercepts (BR).
Used if the exchange coefficients are time-
variable (approximated by a piecewise
linear functions of time) . NRT will
contain the time at which the next break
in the piecewise linear functions will
occur, at which point it will be neces
sary to obtain new slopes (MRC) and
intercepts (BR).
Not used in the current version of WASP.
Maximum number of forcing functions (waste
loads) permitted per system,- set for a
particular WASP configuration in sub-
routine WASP1 .
Number of nonpoint source loads on file.
UNITS
unitless

unitLess

unitless

unitless

unitless

unitless

Ib/day


















unitless



unitless
236

-------
VARIABLE
NWKT(SY,WK)








OMEGA
OUT
PARAM(SG,
PR)*
PRINT(20)
PRNT*
QBY(SY)*







RBY(SY)*







RIM ASS

ROMASS

SCALT(*)

POUND IN
COMMON
REAL








REAL
INTGR
REAL

CPRINT
REAL
INTGR







INTEGR







MASS

MASS

REAL

DEFINITION
Used if the forcing functions for a system
are time-variable (approximated by a
piecewise linear function of time) .
NWKT(ISYS) will contain the time at which
the next break in the piecewise linear
functions, for system ISYS, will occur,
at which point it will be necessary to
obtain new slopes (MWK) and intercepts
(BWK) for system ISYS.
Not used in current version of WASP.
Device number for printer output.
Segment parameters for use in the WASPB
kinetic subroutine.
Print interval.
Print interval.
User selected advective transport indica
tors, if a user wishes, he may by-pass
advective transport for a particular sys-
tem, ISYS, by setting IBY(ISYS) appro-
priately. (Example: if a user had incor-
ported rooted aquatic plants in his
model, he would not wish to have them
transported via flow) .
User selected exchange transport by-pass
indicaters. If a user wishes, he may by-
pass exchange transport for a particualr
system, ISYS, by setting RBY(ISYS) appro-
priately. (Example: if a user had
incorporated rooted aquatic plants in his
model, he would not wish to have them
"disperse" ) .
Total mass of designated constituent
dispersed in.
Total mass of designated constituent dis-
persed out.
Time scale factor. Not used in current
version of WASP.
UNITS
day









unitless
variable

day
day
unitless







unitless








kg
kg



237

-------
VARIABLE
SYSBY(SY)*




TEND






TIME
TPRINT
TPRINT(20)
TZERO*






XBMASS

XKMASS

XLMASS

XMASSO

FOUND IN
COMMON
INTGR




REAL






REAL
CPRINT
CPRINT
REAL






MASS

MASS

MASS

MASS

DEFINITION
User selected system by-pass indicators.
If a user wishes he may choose to by-pass
computations for a particular system
(or systems), ISYS, for a simulation run
by setting SYSBY (ISYS) appropiately.
Ending time for use of the current integra-
tion step size. For single integration
stepsize input this will be the total
simulation time. For multiple integra-
tion stepsize histories, when TIME equals
TEND, a new integration step size will be
chosen and TEND reset.
Current simulation time.
Time for next printout.
Time through which print interval is used.
User selected time for start of simulation.
If for example a user's input data for
model was up such that time zero was
January 1 , a user may skip computations
for January and February
and start March 1 by setting TZERO
(on input) .
Total mass of designated constituent buried
or volatilized.
Total mass of designated constituent trans-
formed.
Total mass of designated constituent loaded
in.
Total mass of designated constituent in
network.
UNITS
unitless




day






day
day
day
day






kg

kg

kg

kg

238

-------
2.4  THE EUTROPHICATION MODEL

2.4.1  Introduction

     EUTRWASP requires the same input format as the basic WASP3 model.  This
format is explained in detail in Section 2.3.  This section describes vari-
ables needed specifically for EUTRWASP.  Elaborations on WASP3 occur only in
Data Groups G, H, and I.  Records or variables within a record that are riot
mentioned here remain the same as described in Section 2,3.

     As mentioned in Table 19, the 8 systems for eutrophication modeling are:
ammonia nitrogen, nitrate nitrogen, ortho-phosphate phosphorus, phytoplankton
carbon, carbonaceous BOD, dissolved oxygen, organic nitrogen, and organic
phosphorus,  in data groups E, F, J, N, and o, input will be repeated 8
times, once for each system.
2.4.2  EUTRWASP Data Descriptions

2.4.2.1  DATA GROUP A:  Model Identification and System Bypass Option--

     Record 1—Model Identification

          NOSYS     =    8 for EUTRWASP.


2.4.2.2  DATA GROUP B:  Exchange Coefficients—

     No changes.


2.4.2.3  DATA GROUP C:  Volumes—

     No changes.


2.4.2.4  DATA GROUP D:  Flows—

     No change s.


2.4.2.5  DATA GROUP E:  Boundary Concentrations--

     No changes.  Input is repeated 8 times,  once for  each system.


2.4.2.6  DATA GROUP F:  Waste Loads--

     No changes.  Input is repeated 8 times,  once for  each system.
                                    239

-------
 2.4.2.7  DATA GROUP G :   En vi i .,-, -

                         Recorc.  1 - ~N

      NOPAM  = 13 for eutroph>-;.)",

      TITLE  = name of data gr •.,..;/.

                    Record__2- -5uo?

      SCALF(K)

           K  =-  1   1  '.
      ANAME(K)          -    r,n


      PARAM(IS2G,K)    ;    ttu-

           K =•  1 ,  NOPAM

        IS EG =  1 ,  NO~f;G

      Listed below a:. -  the- 1  .•
Enter these variah n<:_  ^uc, \i
a nd  PARAM (ISHG,K),

K     PARAM(ISt:G,^)

i     DEPi-Hdr-; -:G, i)
                                                    .* ;'ttlneters
                                                       i I'j/hd-numeric character
                                                               PARAM( ISEG,K) .

                                                  ' - ;  ,-\r,f ;\M E ( K 1  in segment IS EG .
                                                  i'-u  to- eutrophication.
                                                  :,-.--;  ;u place  of ANAME (K)
      BOTSG{I3FG, '
                                                    -i'  (.-i  oeyment below
      v£I.SGM11 h- RCi, 4)    v'KL ^-,.
5    TMPSG(lSEGf';.
                                        /
                                                          beymcnt ISEG,
                                      .'•'-• J:IK':,L  •' - i!ij- .->•'-! tij re multiplier  ( °C) .
                                      iMc'JG  '/--I; j  •:-, uv-'i  space  and can be
                                      • i ;ii'."  =.!- !uti\,  fjependiag on  the
                                      definition of  TEMP.  TMPSG(lSEG)*TEMP
                                      iTMpt^NC I;:HXJ) } = .ST11, the  temperature
                                      of 3 egirif:: t IS EG .

-------
K

6
PARAM(ISEG,K)

TMPFN(ISEG,6)
ANAME (K)   Definition and Units
TMPFN
     KESG(ISEG,7)
                 KESG
     KEFN(ISEG,8)
                 KEFN
     EDIF(ISEG,9)     EDIF
10   SOD1D(ISEG,10)   SOD1D
11   FPIPWC(ISEG,11)  FPIPW
12   FNH4(ISEG,12)    FNH4
 Flag designating the time—variable
 temperature function to be used for
 segment ISEG.  The four temperature
 functions, supplied by the user, are
 defined in data group I  (Section 2.4.4).

 = 1 , TEMPO )
 = 2, TEMP(2)
 = 3, TEMP(S)
 = 4, TEMP(4)

 Segment extinction coefficient multiplier
 (ft~2).  KESG varies over space and
 can be either an actual extinction
 coefficient or a normalized function,
 depending on the definition of KE.
 KESG(ISEG) * KE(KEFN(ISEG)) = KESG(ISEG).
 KE(KEFN(ISEG)) = Ke, the extinction
 coefficient for segment ISEG.

 Flag designating the time variable extinc-
 tion coefficient (KE) to be used for seg-
 ment ISEG.  The five extinction coeffi-
 cients available are defined in data Group
 I  (Section 2.4.2.9) .

 =  1, KE(1)
 =  2, KE(2)
 =  3, KE(3)
 =  4, KE(4)
 =  5, KE(5)

Dispersion coefficient for exchange of
dissolved chemical between ISEG and
IBOT; converted  to dispersive volume
internally.  (cm2/day = million ft3/day).

Sediment oxygen demand; one dimensional
networks only (g/m2/day).

Spatially variable fraction of inorganic
PO4 sorbed to particulates, and subject
to settling.

Average ammonium flux multiplier for seg-
ment; one-dimensional water column networks
only.
                                     241

-------
K    PARAM(ISEG,K)    ANAME (K)   Definition and Units

13   FPO4(ISEG,13)    FPO4       Average phosphate flux multiplier for seg-
                                 ment;  one-dimensional water column networks
                                 only (mg/m2/day).
                         ORGANIZATION OP RECORDS

     Record 1 is input once in Data Group G,  occupying one line.   Record 2
has 13 entries, occupying two lines.  Record  3 has 13 entries per segment.
At five entries per line, each segment requires three lines.
2.4.2.8  DATA GROUP H:  Constants—


                                VARIABLES

                      Record 1—Number of Constants

     NCONS          =      49 for eutrophication.

     TITLE          =      Name of data group.

                           Record 2—Constants

     ANAME(K)       =      an optional one to five alpha-numeric character
                           descriptive name for constant CONST(K).

     CONST(K)       -      the value of constant ANAME(K).

          K = 1, 49

     Listed below are the 49 constants required for eutrophication.   Enter
these variable names and their values, respectively, for ANAME(K) and
CONST(K).

1C    CONST(K)      ANAME(K)      Definition and Units

1    K1C           K1C           Saturated growth  rate of phytoplankton
                                 (day-1).

2    K1T           K1T           Temperature coefficient.

3    LGHTSW        LGHTS         Light formulation switch:

                                 = 0, use Dick  Smith's (USGS)  formulation
                                 = 1, use DiToro et al. (1971) formulation

4    PHIMX         PHIMX         Maximum quantum yield constant. Used only
                                 when LIGHTSW = 0, mgC/mole photons.

                                     242

-------
Jl    CONST(K)      ANAME(K)      Definition and Units

5    XKC           XKC           Chlorophyll extinction coefficient.  Used
                                 only when LGHTSW = 0, (mg chla/n»3 )~1/m.

6    CCHL          CCHL          Carbon-to-chlorophyll ratio.  Used only
                                 when LGHTSW =1 (mg carbon/ing chla) .

7    IS1           IS1           Saturation light intensity for phytoplank-
                                 ton.  Used only when LGHTSW = 1 (Ly/day).

8    KMNG1         KMNG1         Nitrogen haIf-saturation constant for nitro-
                                 gen for phytoplankton growth,  which also
                                 affects ammonia preference, mg-N/L.  NOTE:
                                 This affects ammonia preference:

                                 = 0,        PNH3G1 = 1.0
                                 = Large,    PNH3G1 = NH3/(NH3 + N03)

                                 NOTE:  For standard models, use a large
                                        KMNG1 .
9    KMPG1
10   K1RC
11   K1RT
12   K1D
13   KMPHYT
14   PCRB
15   NCRB
KMPG1
K1RC
K1RT
K1D
KMPHY
Phosporous ha If -saturation constant for
phytoplankton growth, mg
PCRB
NCRB
Endogenous respiration rate of phyto-
plankton at 20°C, day1 .

Temperature coefficient for phytoplankton
growth.

Non-predatory phytoplankton death rate ,
day-1.

Half-saturation constant for phytoplankton,
mg carbon/L.  NOTE:  As phytoplankton
increases, mineralization of- organic
nitrogen and organic phosphorus increases.
KMPHYT = small; little phytoplankton
         effect on mineralization
       = large; large concentration of
         phytoplankton needed to drive
         mineralization

For standard models, use KMPHYT = 0.

Phosphorus-to-carbon ratio in phytoplankton,
mg P0
Nitrogen- to-carbon ratio in phytoplankton,
mg N/mg C.
                                    243

-------
K    OONST(K)
ANAME(K)
Definition and Units
16   OCRB


17   NUTLIM



18   DUMMY

19   FSBOD


20   FSDP


21   FSIP
22   FSON


23   K58C


24   K58T

25   K1013C


26   K1013T

27   K1320C

28   K132OT

29   K140C

30   K140T

31   KNIT


32   KNO3


33   KDC
OCRB


NUTLIM



Blank

FSBOD


FSOP


FSIP
FSON


K58C


K58T

1013C


1320T

1320C

1320T

K140C

K140T

KNIT


KNO3


KDC
Oxygen to carbon ratio in phytoplankton,
mg 02/mg C.

Nutrient limitation option.
0 = minimum
1 = multiplicative

Leave Blank.

Fraction of the carbonaceous biochemical
oxygen demand that settles.

Fraction of the total non-living organic
phosphorus that settles.

Spatially constant fraction of inorganic
phosphorus that is sorbed to particulates
and that settles.  For spatial
variability, use parameter FPIPWC and
leave this constant blank (or zero).

Fraction of total non-living organic
nitrogen that settles.

Mineralization rate of dissolved organic
phosphorus, per day.

Temperature coefficient for K58C.

Mineralization rate of dissolved organic
nitrogen, per day.

Temperature coefficient for K1013C.

Nitrification rate at 20°C, per day.

Temperature coefficient for K1320C.

Denitrification rate at 20°C, per day.

Temperature coefficient for K140C.

Half-saturation constant for nitrification-
oxygen limitation, mg O2/L.

HaIf-saturation constant for denitrifica-
tion oxygen limitation, mgO2/L.

BOD deoxygenation rate at 20°C, per day.
                                    244

-------
K    CONST(K)
ANAME(K)
Definition and Units
34   KDT
35   SVP1
36   SVPP
37   SVPN
38   SVBOD
39   SEDVEL
40   SCOUR
41   KPZDC
42   KPZDT
43   KOPDC
44   KOPDT
45   KONDC
46   KONDT
47   KDSC
48   KDST
49   KBOD
KDT
SVP1
SVPP
SVPN
SVBOD
SEDVL
SCOUR
KPZDC
KPZDT
KOPDC
KOPDT
KONDC
KONDT
KDSC
KDST
KBOD
Temperature coefficient for carbonaceous
deoxygenation in water column.

Settling velocity of phytoplankton,
ft/day.

Settling velocity of particulate phosphorus,
ft/day.

Settling velocity of particulate organic
nitrogen, ft/day.

Settling velocity of particulate BOD
fraction, ft/day.

Sedimentation velocity, inches/year.
Converts to ft/day internally.

Mean scour velocity, inches/year.  NOTE:
Gross deposition = SCOUR + SEDVEL.

Decomposition rate constant for phytoplankton
in the sediment at 20°C, per day.

Temperature coefficient for decomposition of
phytoplankton in sediment.

Decomposition rate of organic phosphorus
in the sediment at 20°C, per day.

Temperature coefficient for decomposition of
organic phosphorus in the sediment.

Decomposition rate constant for organic
nitrogen in the sediment at 20°C, per day.

Temperature coefficient for decomposition of
organic nitrogen in the sediment.

Decomposition rate of carbonaceous BOD in
the sediment at 20°C, per day.

Temperature coefficient for carbonaceous
deoxygenation in the sediment.

Half saturation constant for carbonaceous
deoxygenation oxygen limitation.
                                    245

-------
                         ORGANIZATION OF RECORDS

     Record 1  is entered once in Data Group H.   Record 2 has 48 entries  and
uses 10 lines.  Five entries (ANAME(K)-CONST(K)  pairs) will fit per line.
2.4.2.9  DATA GROUP I:    Miscellaneous Time Functions—


                                VARIABLES

                    Record 1—Number of Time Functions

     NFUNC            =          14 for eutrophication.

     TITLE            =          Name of data group.

                   Record 2—Time Function Descriptions

     ANAME(K)         =          an optional one to five alpha-numeric
                                 character descriptive name for the time
                                 function K.

     NOBRK(K)         =          number of breaks used to describe the
                                 time function K.

          K = 1 , NFUNC

     Listed below are the 14 time functions required  for eutrophication.
The variable names will be entered for ANAME(K) in Record 2 and their
respective values will be entered in Record 3 for VALT(K) and T(K).

     NOTE:  Variables 1-4 are the four temperature-function options
            available for TMPFN in data Group G.  Variables 8-12 are the
            five extinction coefficient options for KEFN, also in G.

K    ANAME(K)           VALT(K)
1    TEMP(1)       =    Time-variable temperature function 1.   TEMP(K)  can
                        be either a normalized function or an  actual
                        temperature in °C, depending upon the  definition
                        of the parameter multiplier TMPSG(ISEG).

2    TEMP(2)       =    Time-variable temperature function 2,  unitless or
                        °C.

3    TEMP(3)       =    Time-variable temperature function 3,  unitless or
                        °C.

4    TEMP(4)       =    Time-variable temperature function 4,  unitless or
                                    246

-------
5

6

7

8
ITOT

F

WIND

KE(1)
9    KE(2)


10   KE(3)


11   KE(4)


12   KE(5)


13   TFNH4

14   TFPO4



     VALT(K)

     T(K)
              1 , NOBRK
Total daily solar radiation, langleys.

Fraction of daylight, days.

Wind velocity, feet/sec.

Time-variable extinction coefficient function 1.
This can be either a normalized function or an
actual extinction coefficient in ffl, depending
upon the definition of the parameter multiplier
KESG(ISEG).

Time-variable extinction coefficient function 2,
unitless or ft~1.

Time-variable extinction coefficient function 3,
unitless or ft~1.

Time-variable extinction coefficient function 4,
unitless or ff1.

Time-variable extinction coefficient function 5,
unitless or ff 1.

Normalized ammonium flux from bed, unitless.

Normalized phosphate flux from bed, unitless.

 Record 3—Time Functions

value of the function at time T(K).

time in days.  If the length of the simulation
exceeds T(NOBRK), the time function will repeat
itself, starting at T(1), i.e., the approximation is
assumed to be periodic, with period equal to T(NOBRK)
                         ORGANIZATION OF RECORDS

     Record 1  is entered once in Data Group I.  Records 2 and 3, as a set,
are repleated 14 times.  Within each set, Record 2 is input once and Record
3 uses as many 80-space lines as needed to input NOBRK entries.   Four
entries (four VALK(K)-T(K) pairs) will fit on each 80-space line.
2.4.2.10  DATA GROUP J:   Initial Concentrations—

     No changes.  Input is repeated 8 times, once for each system.
                                    247

-------
2.4.2.11  DATA GROUP K:   Stability and Accuracy Criteria—

     Record 1—Maximum concentrations  for all  eight systems  are required.

     Record 2--Minimum concentrations  for all  eight systems  are required.


2.4.2.12  DATA GROUP L:   Intermediate  Print Control—

     No changes.


2.4.2.13  DATA GROUP M:   Integration Control—

     No changes.


2.4.2.14  DATA GROUP N:   Print Tables—

     Input is  repeated 8 times, once for  each  system.

                         Record 1—Variable Names

     EUTRWASP  displays the following variables for ANAME(K):

          System 1:   Ammonia,  flow, ambient segment temperature,  preference
                     factor.

          System 2:   Nitrate plus nitrate nitrogen, total nitrogen,  total
                     inorganic nitrogen,  nitrogen  limitation factor  for
                     phytoplankton growth.

          System 3:   Ortho-phosphate phosphorous,  total phosphorus,  nutrient
                     limitation indicator, phosphorus limitation  factor.

          System 4:   Phytoplankton chlorophyll,  phytoplankton carbon,  light
                     limitation factor, nutrient limitation  factor.

          System 5:   Carbonaceous BOD, ultimate BOD, sediment oxygen demand,
                     five day BOD.

          System 6:   Dissolved oxygen, dissolved oxygen deficit,  minimum
                     diurnal DO value, maximum diurnal DO value.

          System 7:   Organic nitrogen, total organic nitrogen,  reaeration
                     rate constant, ambient phytoplankton growth  rate.

          System 8:   Organic phosphorous, total organic phosphorous, in-
                     organic nitrogen  to  phosphorous ratio,  ambient  light
                     extinction coefficient.

-------
2,4,2.15  DATA GROUP O:  T imf  r

     No chanqes.


2.4.2.16  DATA GROUP p,  ;7n.nti.,

     No changes.


2.4.3  EUTRWASP Data Groyp  T?bJ
RECOJRD |VARIABLE

       i
 1      NOPAM

       TITLE
FOP-MAT
                                                     f'HORT DEFINITION
        SCALP(1 )
        SCALP(2)
        SCALP(3)
        SOALPU)
        SCAL?( 5 )
       |SCALP(6)
        SCALP(7)
                      5A4
                     TviTTV"
        VELSG
        PARAM(T<-:EQ,4) ' ''" ".''
        TMPSG         ! '.'i
        PARAM( r.SKG^I ' 1 n~f-
        TMPFN
        PARAM(ISEG,6) if, i\
        KESG
        PARAM(ISEG,7)
        KEFN
        PARAM(ISEG,8)
        ED IF
                     A5
                     F1 0.0
                     A5
                     F1 0.0
                     A5
               0}
        ~CALP( 1 1 )
               2)
        SCALP( 1 3 )
        P ARAM (IS EG ,_9_) } F1_0_. 0
K'-/5

   -15
 16-20
 21-30
 31-35
 36-45
 46-SO
 51-60
                         Environmental Parameters".
                         *  factor for DEPTH.
                         i <-. levant,
                         re levant
                        ;e  factor for VKL;'GM,
                         .r>  factor tor TMPSG.
                         r<-Levant.
                         •;  factor tor KESG.
                         relevant.
                    Scale  factor for EDIF.
                    Scale  factor for SOD1D,
                    -Scdlft  factor tor FPLPWC.
                    Scale  factor for FNH4.
                    Scale  factor for EPO4.
                    "jepth  of  segment,

                    FJag designating segment type.

                    Segment below current segment.

                    Water  velocity,  ft/sec.

                    Temperature  multiplier, °c.

                    Flag designating the time-
                    variable  temp,  function.
                    Extinction coefficient
                    multiplier,  1/ft.
                    Flag designating the time
                    variable  extinction coefficient
                    Dispersion coefficient for ex-
                    jchange of dissolved chemical.

-------
                          DATA GROUP G (Continued)
RECORD


3






VARIABLE
SOD1D
PARAM(ISEGIO)
FPIPW
PARAM(ISEG1 1 )

FNH4
PARAM(ISEG12)
FPO4
PARAM(ISEG1 3)
FORMAT
A5
F10.0
A5
F1 0 . 0

A5
F1 0.0
A5
F1 0.0
COLUMN
61-65
66-75
1-5
6-15

16-20
21-30
31-35
36-45
SHORT DEFINITION
Sediment oxygen demand, g/m2/
day.
Spatially variable of inorganic
PO4 sorbed to particulates , and
subject to settling.
Average ammonium flux multi-
plier, mg/m2/day.
Average phosphate flux multi-
plier, mg/m2/day.
ORGANIZATION OF RECORDS
 122    333    333  ...  333
                 NOSEG
                                     250

-------
DATA GROUP H
RECORD
1

2









2











2









2











VARIABLE
NCONS
TITLE
K1C
CONST( 1 )
K1T
CONST(2)
LGHTSW
CONST(3)
PHIMX
CONST(4)
XKC
CONST (5)
CCHL
CONST(6)
IS1
CONST(7)
KMNG1
CONST(8)

KMPG1
CONSTO)

K1RC
CONSTdO)
K1RT
CONST(1 1)
K1D
CONST (12)
KMPHYT
CONST(13)
PCRB
CONST(1 4)
NCRB
CONST(15)
OCRB
CONST (16)
NUTLIM
CONST(17)
DUMMY
CONST(18)
FSBOD
CONST(19)

FSDP
CONST (20)

FORMAT
15
5A4
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0

A5
F10.0

A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0

AS
F10.0
-
COLUMN
1-10
61-80
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45

46-50
51-60

61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60

61-65
66-75
-
SHORT DEFINITION
No. of constants required = 48
"H: Chemical Constants".
Saturated growth rate of
phytoplankton, 1/day.
Temperature coefficient.

Light formulation switch.

Maximum quantum yield con-
stant, mgC/mole photons.
Chlorophyll extinction coeffi-
cient, m2/mgchla
Carbon-to-chlorophyll ratio,
mg carbn/mgchla.
Saturation light, intensity
for phytoplankton, ly/day.
Nitrogen half saturation con-
stant for phytoplankton
growth, mg/N/L.
Phosphorous half-saturation
constant for phytoplankton
growth, mg PO4-P/L.
Endogenous respiration rate of
phytoplankton at 20°C, 1/day.
Temperature coefficient for
phytoplankton growth.
Non-predatory phytoplankton
death rate, 1/day.
Half -saturation constant for
phytoplankton, mg-carbon/L.
Phosphorous- to-carbon ratio in
phytoplankton, mg PO4~P/mg.
Nitrogen- to-carbon ratio in
phytoplankton, mg N/mg C.
Oxygen-to-carbon ratio in
phytoplankton, mg 02 /mg C.
Nutrient limitation option.

Leave blank.

Fraction of the carbonaceous
biochemical oxygen demand
that settles.
Fraction of the total non-
living organic phosphorus
that settles.
   251

-------
DATA GROUP H
(Continued)
RECORD
2












2









2










2









VARIABLE
FSIP
CONST(21)

FSON
CONSTC22)
K58C
CONST(23)

K58T
CONST(24)
K1013C
CONST(25)

K1013T
CONST(26)
K1320C
CONST(27)
K1320T
CONST(28)
K140C
CONST(29)
K140T
CONST (30)
KNIT
CONST(31)
KNO3
CONST (3 2)
KDC
CONST(33)
KDT
CONST (3 4)

SVPL1
CONST (35)
SVPP
CONST (3 6)
SVPN
CONST(37)
SVBOD
CONST (3 8)
SEDVEL
CONST(39)
SCOUR
CONST(40)
FORMAT
A5
F10.0

A5
F10.0
A5
F10.0

A5
F10.0
A5
F1 0.0

A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F1 0.0
A5
F10.0
A5
F10.0
A5
F1 0.0

A5
F10.0
A5
F1 0.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
COLUMN
1-5
6-15

16-20
21-30
31-35
36-45

46-50
51-60
61-65
66-75

1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60

61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
SHORT DEFINITION
Spatially-constant fraction of
inorganic phosphorus that
settles.
Fraction of total non-living
organic nitrogen that settles
Mineralization rate of dis-
solved organic phosphorus,
1/day.
Temperature coefficient for
K58C.
Mineralization rate of dis-
solved organic, nitrogen,
1/day.
Temperature coefficient for
K1013C.
Nitrification rate at 20°C,
1/day.
Temperature coefficient for
K1320C.
Denitrif ication rate at 20°C,
1/day.
Temperature coefficient for
K140C.
Half-saturation constant for
nitrification-oxygen limita-
tion, mg O2/L.
Half-saturation constant for
denitrif ication oxygen limi-
tation, mgO2/L.
BOD deoxygenation rate at
20°C, 1/day.
Temperature coefficient for
carbonaceous deoxygenation in
water column.
Settling velocity of phyto-
plank ton , 1/day .
Settling velocity of particu-
late phosphorus, ft/day.
Settling velocity of particu-
late organic nitrogen, ft/day
Settling velocity of particu-
late BOD fraction, ft/day.
Sediment velocity, in/yr.

Mean scour velocity, in/yr.

      252

-------
                                  DATA GROUP H
                                  (Continued)
RECORD
2














2











VARIABLE
KPZDC
CONSTUD

KPZDT
CONST (4 2)

KOPDC
CONST(43)

KOPDT
CONST(44)

KONDC
CONST(45)

KONDT
CONST(46)

KDSC
CONST(47)

KDST
CONST (4 8)

KBOD
CONST(49)

FORMAT
A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

COLUMN
1-5
6-15

16-20
21-30

31-35
36-45

46-50
51-60

61-65
66-75

1-5
6-15

16-20
21-30

31-35
36-45

46-50
51-55

SHORT DEFINITION
Decomposition rate constant
for phytoplankton in the
sediment of 20°C, 1/day.
Temperature coefficient for
decomposition of phytoplank-
ton in sediment.
Decomposition rate of organic
phosphorus in sediment at
20°C, 1/day.
Temperature coefficient for
decomposition of organic
phosphorus in the sediment.
Decompsoition rate constant
for organic nitrogen in the
sediment at 20°C, 1/day.
Temperature coefficient for
decomposition of organic
nitrogen in the sediment.
Decomposition rate of carbo-
naceous BOD in the sediment
at 20°C, 1/day.
Temperature coefficient for
carbonaceous deoxygenation
in the sediment.
Half saturation constant for
carbonaceous deoxygenation
oxygen limitation.
ORGANIZATION OF RECORDS
 |1[2T2|2|2|2|2|2|2|2|2|
                                     253

-------
•DATA GROUP I
RECORD
1

2

3









2

3



2

3



2

3




2

VARIABLE
NFUNC
TITLE
TEMPO)
NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
TEMP(2)
NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
TEMP(3)
NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
TEMP(4)
NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
I TOT
NOBRK
FORMAT
15
5A4
A5
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
A5
15
F10.0
F10.0
.
.
A5
15
F10.0
F10.0
•
.
A5
15
F10.0
F10.0
•
•
.
A5
15
COLUMN
1-5
61-80
1-5
6-10
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
.
1-5
6-10
1-10
11-20
•
.
1-5
6-10
1-10
11-20
A
.
1-5
6-10
1-10
11-20

*
.
1-5
6-10
SHORT DEFINITION
No. time functions required ~ 14
"I: Time Functions."
Time variable temp, function.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
K = 2

K = 3

K - 4

K = NOBRK(I)

Time-variable temp, function.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
*
•
K « NOBRK
Time-variable temp, function.
Number breaks used.
Value of time functions.
Time in days; K = 1.
•
K = NOBRK
Time-variable temp, function.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
*
•
K - NOBRK
Total daily solar radiation, ly.
Number breaks used.
       254

-------
DATA GROUP I
(Continued)
RECORD
3



2

3



2

3



2


3



2


3



2


3

VARIABLE
VALT(K)
T(K)
•
VALT(K)
T(K)
F
NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
WIND
NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
KE(1)

NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
KE(2)

NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
KE(3)

NOBRK
VALT(K)
T(K)
FORMAT
F10.0
F10.0
•
•
.
A5
15
F10.0
F10.0
•
•
.
A5
15
F10.0
F10.0
•
.
A5

15
F10.0
F10.0
•
•
.
A5

15
F10.0
F10.0
•
.
A5

15
F10.0
F10.0
COLUMN
1-10
11-20
•
•
.
1-5
6-10
1-10
11-20
•
•
.
1-5
6-10
1-10
11-20
•
.
1-5

6-10
1-10
11-20
•
•
.
1-5

6-10
1-10
1 1-20
•
.
1-5

6-10
1-10
11-20
SHORT DEFINITION
Value of time functions.
Time in days; K =. 1 .
•
•
K = NOBRK
Fraction of day light, day.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
•
K = NOBRK
Wind velocity, ft/sec.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
K = NOBRK
Time variable extinction coef.
function.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
•
K = NOBRK
Time variable extinction coef.
function.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
N = NOBRK
Time variable extinction coef .
function.
Number breaks used.
Value of time functions.
Time in days; K = 11
   255

-------
                                 DATA GROUP I
                                 (Continued)
RECORD


2

3




2

3



2


3



2


3



VARIABLE
*
VALT(K)
T(K)
KE(4)
NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
KE(5)
NOBRK
VALT(K)
T(K)
VALT(K)
T(K)
TFNH4

NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
TFPO4

NOBRK
VALT(K)
T(K)
•
VALT(K)
T(K)
FORMAT
•
.
A5
15
F10.0
F10.0
•
.
.
A5
15
F10.0
F10.0
•
.
A5

15
F10.0
F10.0
*
•
.
A5

15
F10.0
F10.0
•
*
•
COLUMN
•
.
1-5
6-10
1-10
11-20
•
.
.
1-5
6-10
1-10
11-20
• *
.
1-5

6-10
1-10
11-20
*
.
1-5

6-10
1-10
11-20
•
•
•
SHORT DEFINITION
•
K = NOBRK
Time variable extinction coef.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
.
K = NOBRK
Time variable extinction coef.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
K = NOBRK
Normalized ammonium flux from
bed.
Number breaks used.
Value of time functions.
Time in days; K = 1 .

K = NOBRK
Normalized phosphate flux from
bed.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
•
K = NOBRK
ORGANIZATION  OF RECORDS

111  I2I3I...I3I   |2|3|...|3|
23
                                     256

-------
2.4.4  Variable Definitions
VARIABLE
AVDEPE
AVVELE
BODS
BOTSG(ISEG)


CBOD

CCHL*




CCHL1


CPOREA


CN
CS

DEL02
DERIV


DIF


DEATH

POUND IN
SUBROUTINE
EUO 3K2
EUO 3K2
EUO3DU
WASPB
EU03SX
EUO 31 N
WASPB ,
EU03S5
EU03S4
EU03IN



EUO3S4


EUO 3K2


EO03S4
EU03S6
EU03DU
EUO 3D U
EUO3S3
EUO3S7
EUO3S8
EU03K2


EU03S5

DEFINITION
Average depth for a segment.
Average velocity of a segment.
5 Day biochemical oxygen demand.
The segment immediately below ISEG.


Carbonaceous biochemical oxygen demand.

Carbon to chlorophyll ratio (used only
in Di Toro1 s light formulation) varies
in time if Dick Smith's light formu-
lation is used — constant is internally
calculated.
Carbon to chlorophyll ratio that varies
in time if Dick Smith's light formu-
lation is used.
Fraction of surface area affected by
wind-driven reaeration, set equal to
1 .0.
Total inorganic nitrogen.
Dissolved oxygen saturation concentra-
tion.
Diurnal dissolved oxygen variation.
Intermediate kinetic derivative.


Internal variable used to determine
whether Churchill's or O'Connor-
Dobbin's reaeration formula is used.
Phytoplankton death rate.

UNITS
ft
ft/sec
mg/L
unit-
less

mg/L

mg
carbon/
mg chla


mg/
carbon/
mg chla
ft?/
ft?

mg/L
mg/L

mg/L
mg/L
MCF/
day
unit-
less

mg/L-
day
                                    257

-------
VARIABLE
DEPTH(ISBG)
DEPTHM
DODEF
DOM AX
DOMIN
DPP


DO


DP1
DTDAY
EDIF(ISEG)
EXCH
EXPRED
EXPREV
F*
FLOW
FOUND IN
SUBROUTINE
WASPB
WASPB
EU03S6
EU03DU
EU03DU
EU03DU
EU03S4
EU03S5
EU03S7
EU03S8
WASPB
EU03DU
EUO 3S6
EU03S1
EU03S4
EU03S4
EUO 31 N
EUO 3SX
EUO 3SX
EU03K2
EU03K2
EUO 3S4
EU03DU
DEFINITION
Depth of IS EG.
Depth of segment.
The dissolved oxygen deficit.
DO + DEL02/2 maximum diurnal DO.
DO - DEL02/2 minimum diurnal DO.
Phytoplankton death rate.


Dissolved oxygen concentration.


Specific phytoplankton death rate con-
stant (Respiration + Death) .
Time of day increment (expressed as
decimal fraction) used in integrating
Smith light formulation over day.
Dispersion coefficient for exchange of
dissolved chemical between ISEG and
IBOT; Converted to dispersion volume
internally, million ft^/day.
Dispersive volume exchanged between
benthic and water column segments.
Depth exponent used reaeration calcula-
tions.
Velocity exponent used in reaeration
calculations.
Fraction of day that is daylight, input
as time function.
Flow.
UNITS
ft
m
mg/L
mg/L
mg/L
m/(1
day-1)


mg/L


day-1
unit-
less
cm2/
day
MCF/
day
unit-
less
unit-
less
days
MCF/
day
258

-------
VARIABLE
FNH4(ISEG)*


FLUX



FP04(ISEG)*


FPIPWC*
(ISBG)

FSBOD*

FSIP*


FSON*

FSOP*

GITMAX

GITMX1

GIT1

GPP

GP1



POUND IN
SUBROUTINE
EU03IN
EU03SX

EU03SX
S1 ,S2,S3,
S4,S5,S6,
S7,S8
EU03IN
EU03SY

EUO3S3


EUO355

EUO3S3


EU03S7

EUO3S8

EUO3S4

EUO3S4

EUO3S4

EUO3S4
EUO3S3
EU03S4
EU03S6
EU03S1
EU03S2
DEFINITION
Average ammonium-N flux multiplier for
segment ISEG, input parameter for
water column networks.
Rate at which a constituent settles to
or exchanges with a lower segment.


Average phosphate-p flux multiplier for
segment ISEG input parameter for water
column networks.
Spatially variable fraction of inorganic
phosphorus that is sorbed to parti-
culate and settles.
Fraction of the carbonaceous bio-
chemical oxygen demand that settles.
Spatially-constant fraction of inorganic
phosphorus that is sorbed to parti-
culate and settles.
Fraction of non-living organic nitrogen
that settles.
Fraction of non-living organic phos-
phorus that settles.
Maximum specific phytoplankton growth
rate.
Maximum specific phytoplankton growth
rate corrected for temperature.
Light limited specific phytoplankton
growth rate.
Light and nutrient limited phytoplankton
growth rate.
Light and nutrient limited specific
phytoplankton growth rate.


UNITS
unit-
less

mg/L



unit-
less

unit-
less

unit-
less
unit-
less

unit-
less
unit-
less
days-1

days"1

day-1

mg/L/
day
day-1



259

-------
VARIABLE
H

IAV


IBOT

IDFREC

IKE

IMAX
IS1*


I TO

I TOT*

10


KA

KBOD


KDC*

KDSC*

KDST*

POUND IN
SUBROUTINE
WASPB
EU03K2
WASPB
EUO 3S4

EU03SX

WASPB

EU03S4

EUO 3S4
EU03S4


WASPB

WASPB ,
EUO 3S4
EUO 3S4


EUO 3S6

EUO 3S5


EU03S5

EU03S5

EU03S5

DEFINITION
Depth of segment being considered.

Average light intensity during daylight
hours, converted to Ly/min in Smith
formulation.
The segment immediately below ISEG.

POP version set up as a record pointer.

The number of the time-variable extinc-
tion coefficient used for ISEG.
Maximum light intensity during the day.
Saturating light intensity for phyto-
plankton (used only if using Di Toro
light formulation) .
The segment immediately below ISEG.

Total daily solar radiation, input as
time function.
Light intensity at surface of segment; a
sinusoidal function used in Smith
formulation.
Reaeration rate constant at segment
temperature.
Half saturation constant for oxygen
limitation of carbonaceous deoxygena-
tion.
Specific carbonaceous BOD deoxyenation
rate at 20°C.
Specific decomposition rate of carbo-
naceous BOD in benthos at 20° C.
Temperature coefficient for carbonaceous
deoxygenation in benthos.
UNITS
ft

Ly/day


unit-
less
unit-
less
unit-
less
Ly/day
Ly/day


unit-
less
Ly

Ly/day


day-1

mg/L


day-1

day-1

unit-
less
260

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
KDT*


KE(I)


KEFN(ISEG)


KESG(ISEG)


KESHD


KMNG1*




KMPG1


KMPHYT*



KNIT*


KNO3*


KONDC*


KONDT*



KOPDC*


KOPDT*



KOREA
 EU03S5
 WASPB
 EUO 3S4
 EU03S4
 EU03S4
 EUO 3S4
 EU03S4
 EU03S4
 EUO3S5
 EUO352
 EU03S7
 EU03S7
 EUO 3S8
 EUO 3S8
 EUO 3K2
Temperature coefficient for carbonaceous
  deoxygenation in water column

Light extinction coetficient, time
  function number I = 1-5.

Light extinction time function chosen
  for ISEG.

Average light extinction multiplier for
  ISEG.

Phytoplankton self-shading coefficient,
  used in Di Toro formulation.

Nitrogen half saturation constant for
  phytoplankton growth, which also
  affects ammonia preference.

Phosphorus half saturation constant for
  phytoplankton growth.

Half saturation constant for phytoplank-
  ton effects on mineralization of
  organic phosphorus and nitrogen.

Half saturation constant for oxygen
  limitation of nitrification.

Half saturation constant for denitrifi-
  cation oxygen limitation.

Decomposition rate constant for organic
  nitrogen in the benthos at 20°C.

Temperature coefficient for decomposi-
  tion of organic nitrogen in the
  benthos.

Decomposition rate constant for organic
  phosphorus in the benthos at 20°C.

Temperature coefficient for decomposi-
  tion of organic phosphorus in the
  benthos.

Reaeration rate constant based on wind
  speed, surface area, and volume.	
 unit-
  less

 ft-1
unit-
  less

unit-
 less

 ft-1
 mg-N/L
 mg
PO4-P/L

 mg
CRB/L
 mg 02/
  L

mgO2/L


 day-1
 unit-
  less
 day-1
 unit-
  less
 day-1
                                    261

-------
VARIABLE
KPZDC*

KPZDT*

K1C*

K1D*

K1RC*

K1RT*

K1T*

K1013C*

K1013T*

K1320C*
K1320T*

K140C*
K140T*

K20

K58C*

K58T*

POUND IN
SUBROUTINE
EU03S4

EU03S4

EUO 3S4

EU03S4
EU03S5
EUO 3S4

EUO 3S 4

EU03S4

EUO 3S7

EU03S7

EU03S1
EU03S1

EUO352
EUO352

EUO 3K2
EU03S6
EU03S8

EUO 3S8

DEFINITION
Specific decomposition rate of phyto-
plankton in the benthos at 20°C.
Temperature coefficient for decomposi-
tion of phytoplankton in the benthos.
(Const). Maximum saturated growth rate
of phytoplankton at 20°C.
(Const). Non-predatory phytoplankton
death rate.
Endogenous respiration rate for phyto-
plankton at 20°C.
Temperature coefficient for phytoplank-
ton respiration
(Const). Temperature coefficient for
phytoplankton growth.
Mineralization rate constant for diss-
olved organic nitrogen.
Temperature coefficient for mineraliza-
tion of dissolved organic nitrogen.
Nitrification rate constant at 20°C.
Temperature coefficient for nitrifica-
tion.
Denitrification rate at 20°C.
Temperature coefficient for K140C.

Reaeration rate constant at 20°C.

Mineralization rate constant for dis-
solved organic phosphorous.
Temperature coefficient for mineraliza-
tion of dissolved organic phosphorus.
UNITS
day"1

unit-
less
day1

day~1

unit-
less
unit-
less
unit-
less
day"1

unit-
less
day-1
unit-
less
day-1
unit-
less
day-1

day1

unit-
less
262

-------
VARIABLE
LGHTSW*


LIMIT

NCRB*


NH3



N03

NUTLIM*

OCRB*

ON


OP


OPO4


PCRB*

PHIMX*


PHYT



POUND IN
SUBROUTINE
EU03S4


EUO 3DU

EU03S1 ,
EU03S2,
EUO 3S7
WASPB ,
EU03S1 ,
EU03S4,
EUO 3D U
WASPB,
EUO 3D U
EU03S4

EU03S5

WASPB,
EU03S7,
EU03DU
WASPB ,
EUO 3S8 ,
EUO 3DU
WASPB ,
EU03S3,
EUO 3D U
EU03S3,
EUO 3S8
EU03S4


WASPB ,
EUO 3S4 ,
EUO 31 N,
EU03S1 ,
DEFINITION
Light formulation switch: 0 = use Dick
Smith's (USGS) formulation; 1 = use
Di Toro et al. (1971) formulation.
Nutrient limitation indicator ( "+" =
nitrogen, "-" = phosphorus) .
Nitrogen to carbon ratio in phytoplank-
ton.

Segment ammonia concentration.



Segment nitrite and nitrate nitrogen
concentration.
Nutrient limitation option: 0 = minimum;
1 = multiplicative.
Oxygen to carbon ratio in phytoplankton.

Segment organic nitrogen concentration.


Segment organic phosphorus concentra-
tion.

Segment orthophosphate concentration.


Phosphorus to carbon ratio in phyto-
plankton.
Maximum quantum yield constant (used
with Smith formulation) .

Phytoplankton biomass as carbon.



UNITS
unit-
less

unit-
less
mg N/
mg CRB

mg-N/L



mg-N/L

unit-
less
mg-02/
mg CRB
mg/L


mg/L


mg/L


mg P04-
p/mgCRB
mg CRB/
mole
photons
mg/L



263

-------
VARIABLE


PI
PNH3G1


RATIO
REAR

RESP

RLIGHT

RNUTR

SA

SCOUR





SDEPTH

SEDSEG







POUND IN
SUBROUTINE
EU03S2,
EU03S6
EUO 3S4
EU03S4,
EU03S1 ,
EU03S2
EUO 3D U
EUK03K2

EU03S4,
EU03S6
EU03S4

EUO 3S4

EU03IN

EU03IN
EUO3S3
EUO3S4
EU03S5
EU03S7
EUO3S8
EUO 3IN

WASPB ,
EUO 31 N,
EU03S3,
EU03S4,
EUO 3S5 ,
EU03S6,
EU03S7,
EU03S8
DEFINITION


Math function Pi.
Preference factor for ammonia over
nitrate.

Inorganic nitrogen to phosphorus ratio.
Multiplier used in calculating reaera-
tion rate.
Phytoplankton respiration rate.

Light limitation factor for phytoplank-
ton growth.
Nutrient limitation factor for phyto-
plankton.
Surface area of current segment.

Mean scour velocity.

NOTE: Gross deposition = scour + SEDVEL



Depth of surficial benthic sediment
layer.
Sediment segment indicator; .FALSE. =
water column segment; .TRUE. =
sediment segment.





UNITS



unit-
less

mg/mg
uni t-
less
mg/L/
day
unit-
less
unit-
less
million
ft2
in/yr





ft

unit-
less






264

-------
VARIABLE
SEDVEL*





SKE

SK1013

SK13P1

SK1314


SK14P1

SK140D

SK180D

SK180

SK19P

SK19S

SK1913

SK1918

SK58

POUND IN
SUBROUTINE
EU03IN,
EU03S3,
EU03S4,
EU03S5,
EU03S7,
EU03S8
EUO 3S4

EU03S1 ,
EU03S7
EU03S1

EU03S1 ,
EU03S2,
EUO 3S6
EU03S2

EU0352
EUO355
EUO355

EUO 3S5 ,
EUO 3S6
EU03S6

EUO 3S6

EU03S6

EUO 3S6

EUO 3S8 ,
EU03S3
DEFINITION
Sedimentation velocity converted
internally, converted to ft/day inter-
nally.



Total ambient light extinction coeffi-
cient.
Rate at which organic nitrogen is
mineralized to ammonia.
Rate at which ammonia is taken up by
phy toplank ton .
Rate at which ammonia is nitrified to
nitrate.

Rate at which nitrate is taken up by
phytoplank ton .
Rate at which nitrate is reduced by
denitrif ication
Rate at which CBOD is reduced by
denitrif ication.
Rate at which CBOD is oxidized.

Rate at which oxygen is consumed by
phytoplankton respiration.
Rate at which oxygen is consumed by
benthic sediments.
Rate at which oxygen is consumed by
nitrification.
Rate at which oxygen is consumed by
CBOD.
Rate at which organic phosphorus is
mineralized to phosphate.
UNITS
in/yr





ft-1

mg/(L-
day)
mg/(L-
day)
mg/(L-
day)

mg/(L-
day)
mg/(L-
day)
mg/CL-
day
mg/(L-
day)
mg/(L-
day)
mg/(L-
day)
mg/(L-
day)
mg/(L-
day)
mg/(L-
day)
265

-------
VARIABLE
SK8P

SOD

SODID(ISEG)

SR1 30N

SR1 413

SR18P

SR19PA

SR1 9PB

SR190

SR5P


SR80P

STP •

STP20







SUM

FOUND IN
SUBROUTINE
EU03S3

EU03DU

EU03DU,
EU03S6
EU03S1

EU03S2

EU03S5

EU03S6

EU03S6

EUO 3S6

EUO 3S8


EU03S3

WASPB ,
EU03DU
EU03S1 ,
EUO 3S2 ,
EU03S3,
EU03S4,
EUO 3S5 ,
EU03S6,
EU03S7,
EUO 3S8
EUO 3S4

DEFINITION
Rate at which phosphate is taken up by
phytoplankton.
Sediment oxygen demand.

Sediment oxygen demand input for 1 -D
networks.
Rate at which ammonia is mineralized
from organic nitrogen.
Rate at which nitrate is nitrified
from ammonia.
Rate at which CBOD is generated from
phytoplankton death.
Rate at which DO is produced by phyto-
plankton growth using ۩2 and NH3 .
Rate at which DO is produced by phyto-
plankton growth using CO2 and NO3 .
Rate at which DO is added by reaeration.

Rate at which organic phosphorus is
produced from phytoplankton respira-
tion and death.
Rate at which phosphate is mineralized
from organic phosphorus.
Temperature of the segment being
considered.
Difference between segment temperature
and 20°C.






Temporary variable used in integrating
Smith light formulation over day.
UNITS
mg/(L-
day)
gDO/(m2
-day)
gDO/(m2
-day)
mg/(L-
day)
mg/(L-
day)
mg/(L-
day)
mg/(l>
day)
mg/( 1.1-
day)
mg/(L-
day)
mg/(L-
day)

mg/(L-
day)
C°

°C







unit-
less
266

-------
VARIABLE
SVBOD*

SVPN*

SVPP*

SVP1*
SW16A


TCHLA

TCHLAX

TEMP(I)


TPNH4
THP04
TIN
TIP
TMPSG

TMPFN(ISEG)

TN
TON
TOP
POUND IN
SUBROUTINE
EUO 3S5

EUO 3S7

EU03S3,
EU03S8
EU03S4
WASPB,
EU03S4

EUO3DU
EUO3S4
EUO3DU

HASPS


EU03SX
EUO3SX
EUO3DU
EUO3DU
WASPB

WASPB

EU03DU
EU03DU
EU03DU
DEFINITION
Settling velocity of particulate BOD
fraction.
Settling velocity of particulate organic
nitrogen.
Settling velocity of particulate
phosphorus .
Settling velocity of phytoplankton.
Internal switch indicating the passage
of a day, used to trigger Smith light
integration.
Phytoplankton chlorophylla concen-
tration
Phytoplankton chlorophylla concentra-
tion.
Temperature time function No. I (I =
1-4) for segments indicated by TMPFN
(ISEG).
Normalized time function for ammonium
flux from bed.
Normalized time function for phosphate
flux from bed.
Total inorganic nitrogen concentration.
Total inorganic phosphorus concentratin.
Average water temperature multiplier for
ISBG.
Temperature time function chosen for
ISEG.
Total nitrogen concentration.
Total organic nitrogen concentration.
Total organic phosphorus concentration.
UNITS
ft/day

ft/day

ft/day

ft/day
unit-
less

mg/1

ug/L

°C


mg-N/ (
m2-day)
mg-p/ (
m2-day)
mg/L
mg/L
unit-
less
unit-
less
mg/L
mg/L
mg/L
267

-------
VARIABLE
TRANDP
TYPEE(ISEG)
T16A
UBOD
VEL
VELSG(ISEG)
VELSGM
VOL
WIND*
WINDF
WINDSG
XEMPRC
XEMP1
XEMP2
XKC*
FOUND IN
SUBROUTINE
EU03K2
WASPB
EU03IN
EU03SX
WASPB
EU03DO
EU03S3,
EU03S4,
EU03S5,
EU03S7,
EU03S8
WASPB
WASPB ,
EU03K2
WASPB ,
EUO 3D U
WASPB
EU03K2
WASPB ,
EU03K2
EU03S4,
EUO 3S7 ,
EUO 3S8
EU03S4
EUO 3S4
EU03S4
DEFINITION
The transition depth used to determine
which reaeration formula should be
used for a given current velocity.
Type of segment: 1 = surface water
2 = subsurface water
3 = surface bed
Elapsed fraction of day, set to 0 at end
of each day, used to trigger SW16A.
Ultimate (30 day) BOD.
Generalized settling velocity, used
internally.
Water velocity in ISEG
Water velocity in a segment.
Volume of current segment.
Time-varying wind velocity.
Windspeed factor influencing reaeration.
Time varying wind velocity.
Phytoplankton limitation factor for the
mineralization of organic nitrogen and
organic phosphorus.
Nitrogen limitation factor for phy to-
pi ank ton.
Phosphorus limitation factor for phyto-
plankton.
Chlorophyll extinction coefficient used
with Smith light formulation.
UNITS
ft.
uni t-
less
uni t-
less
mg/L
ft/day
ft/sec
ft/sec
million
ft3
ft/sec
cm/hr
ft/sec
unit-
less
unit-
less
unit-
less
(mg chl
-a/m3 )
268

-------
2.5  THE TOXICS MODEL

2.5.1  Introduction

     TOXIWASP requires the same input format as the basic WASPS model.   This
format is explained in detail in Section 2.3.  This section describes vari-
ables needed specifically for TOXIWASP.  Elaborations on WASPS occur only in
Data Groups G, H, and I.  Records or variables within a record that are not
mentioned here remain the same as described in Section 2.3.

     As mentioned in Table 19, the 2 systems for toxics modeling are chemical
and sediment.  In data groups E, F, J,  N, and O, input will be repeated
twice, once for each system.
2.5.2  TOXIWASP Data Group Descriptions


2.5.2.1  DATA GROUP A:  Model Identification and System Bypass Option--


                      Record 1 —Model Identification

     NOSYS     =    2 for TOXIWASP.


2.5.2.2  DATA GROUP B:  Exchange Coefficients—

     No changes.


2.5.2.3  DATA GROUP C:  Volumes—

     No changes.


2.5.2.4  DATA GROUP D:  Plows—

     No changes.


2.5.2.5  DATA GROUP E:  Boundary Concentrations—

     No changes.  Input is repeated twice, once for each system.


2.5.2.6  DATA GROUP F:  Waste Loads—

     No changes.  Input is repeated twice, once for each system.
                                     269

-------
2.5.2.7  DATA GROUP G:  Environmental Parameters—
     NOPAM

     TITLE
            VARIABLES

  Record 1—Number of Parameters

18 for TOXIWASP.

name of data group.
                  Record 2—Scale Factors for Parameters

     SCALP(K)  =    scale factor for parameter K.

          K = 1, NOPAM


                       Record 3—Segment Parameters

     ANAME(K)  =    an optional one to five alpha-numeric character
                    descriptive name for parameter PARAM(ISEG,K).

PARAM(ISEG,K)  =    the value of parameter ANAME(K) in segment ISEG.

          K = 1, NOPAM

       ISEG = 1, NOSEG

     Listed below are the 18 parameters required by TOXIWASP.   Enter these
names and their respective values in place of ANAME(K) and PARAM(ISEG,K).
     PARAM(ISEG,K)
  ANAME(K)   Definition and Units
 1    TEMPM(ISEG,1)

 2   DEPTHG(ISEG,2)

 3   VELOC(ISEG,3)


 4   WINDG(ISEG,4)
  TEMSG

  DEPTH

  VELOC


  WINDG
 5   TYPEE(ISEG,5)    TYPEE

 6   BACTOG(ISEG,6)   BACTO
Average temperature for segment (degrees C)

Depth of segment (feet).

Average velocity of water in segment
(feet per second) .

Average wind velocity 10 cm above the
water surface (surface water segments
only) (meters per second).

Flag designating segment type.

Bacterial population density in segment
(cells per milliliter  (water) cells
per 100 grams dry weight (bed)).
                                    270

-------
 K   PARAM(ISEG,K)    ANAME(K)

 7   ACBACG(ISEG,7)   ACBAC




 8   BIOMAS(ISEG,8)   BIOMS
 9   BIOTMG(ISBG,9)   BIOTM

10   POHG(ISEG,10)    POHG


11   OXRADG(ISEG,11)   OXRAD


12   OCS(ISEG,12)     OCS


13   PCTWA(ISEG,13)   PCTWA
14   DSPSED(ISEG,14)  DSPSD
15   PHG(ISEG,15)     PHG
16   WS(ISEG,16)
WS,WR,
or QP
17   CMPETG(ISEG,17)   CMPET
18   TOTKG(ISEG,18)    TOTKG
Definition and Units

Proportion of bacterial population that
actively degrades chemical (dimensionless
ratio).

Total actively sorbing biomass in segment
(mg (dry weight) per liter (water) or
grams (dry weight) per square meter
(bed)).

Biotemperature in segment (degrees C).

Hydroxide ion activity in segment
(pOH units).

Molar concentration of environmental
oxidants in segment (moles per liter).

Organic carbon content of sediments as
fraction of dry weight (dimensionless).

Percent water in benthic sediments,
expressed as fresh/dry weight; all
values must be greater than or equal
to 1 (dimensionless).

Fraction of sediment volume that mixes
(dimensionless).

Hydrogen ion activity in segment (pH
units).

Spatially variable parameter denoting
settling rate of suspended sediment
in water column segments (types 1  and
2), erosion rate of surface bed sediment
in surface bed segment (type 3), or
percolation of pore water through
subsurface bed segments (type 4) (meters
per day (1, 2); cm per year (3); cubic
feet per second (4)).

Single-valued zenith light extinction
coefficients (for water segments
only) (per meter).

Total first order decay rates calculated
externally,  if equal to zero, the
program evaluates all separate processes
and calculates a combined total first
order decay rate internally (per day).
                                    271

-------
                         ORGANIZATION OF RECORDS

     Record 1  is input once in Data Group G,  occupying one line.   Record 2
has 18 entries occupying 24 lines with eight entries per line.   Record 3 has
18 entries per segment.  At five entries per  line,  four lines are used for
each segment.
2.5.2.8  DATA GROUP H:  Chemical Constants—
     NCONS

     TITLE
                  VARIABLES

        Record 1 —Number of Constants

        66 for TOXIWASP.

        name of data group.
     ANAME(K)


     CONST(K)

          K =
1 ,  66
             Record 2—Constants

        an optional one to ive alpha-numeric character
        descriptive name for constant CONST(K).

        the value of constant ANAME(K).
     Listed below are the 66 constants required for eutrophication.   Enter
these variable names and their values, respectively, for ANAME(K)  and
CONST(K).
    1,2,3
    4,5,6
    7,8,9
    10,1 1 ,12
                 CONST(K)
   EBHG(I,1)
   ENHG(I,1)
   EAHG(I,1)
   KAHG(I,1)
                ANAME(K)   DEFINITION AND UNITS
EBHG1      Arrhenius activation energy of
EBHG2     specific-base-catalyzed hydrolysis
EBHG3     of the toxicant (kcal/gram mole).

ENHG1      Arrhenius activation energy of
ENHG2     neutral hydrolysis of the toxicant
ENHG3     (kcal/gram mole).

EAGH1      Arrhenius activation energy of
EAHG2     specific-acid-catalyzed hydrolysis
EAGH3     of toxicant (kcal/gram mole).

KAHG1      Second-order rate  constants for
KAHG2     specific-acid=catalyzed hydrolysis
KAHG3     of chemical (per mole [H+] per hour)
                                     272

-------
             CONST(K)
             ANAME(K)  DEFINITION AND UNITS
13,14,15
16,17,18
KBHG(1,1)
KNHG(I,1)
KBHG1
KBHG2
KBHG3

KNHG1
KNHG2
KNHG3
Second-order rate constants for
specific-base-catalyzed hydrolysis of
chemical (per mole [OH-] per hour).

Rate constants for neutral hydrolysis
of organic chemical (per hour).
19,20,21
22,23,24
25,26,27
28,29,30
31,32,33
34,35,36
37
38
39
EOXG(I,1)    EOXG1
             EOXG2
             EOXG3

KOXG(1,1)    KOXG1
             KOXG2
             KOXG3
KBACWG(I,1)  KBCW1
             KBCW2
             KBCW3

QTBAWG(I,1)  QTBW1
             QTBW2
             OTBW3
KBACSG(I,1)  KBCS1
             KBCS2
             KBCS3

QTBASG(I,1)  OTBS1
             QTBS2
             OTBS3
KOC
KOW
OCB
KOC
KOW
OCB
Arrhenius activation energy of oxida-
tive transformation of the chemical
(kcal/gram mole).

Second-order rate constants for
oxidative transformation of toxicant
(liter per mole environmental oxidant
per hour).

Second-order rate constants for water
column bacterial biolysis of the
organic chemical (ml/cel-hour).

Q-10 values for bacterial transforma-
tion rate in the water column.  Q-10
is the increase in the second-order
rate constant resulting from a 10
degree C temperature increase
(dimensionless).

Second-order rate constants for
benthic sediment bacterial biolysis
of the organic  (ml/cell-hour).

Q-10 values for bacterial transforma-
tion of organic chemical in benthic
sediments.  The Q-10 is the increase
in the second-order rate constant
resulting from a 10 degree C tempera-
ture increase (dimensionless).

Organic carbon partition coefficient
(lw/kg organic carbon).

Octanol water partition coefficient
(lw/loct).

Organic carbon content of the com-
partment biomass as a fraction of
dry weight (dimensionless).
                                 273

-------
 K

40

41

42

43


44


45

46
47
48
49
50
51

52

53
CONST (K)
DUMMY
DUMMY
DUMMY
MWTG
ANAME(K)
DUMMY
DUMMY
DUMMY
MWTG
DEFINITION AND UNITS
Leave blank.
Leave blank.
Leave blank.
The molecular weight of the chem:
HENRYG


VAPRG

KVOG
SOLG
ESOLG
EVPRG
EHENG
DUMMY

DUMMY

FAC
          (grams per mle).

HENRY     Henry's Law constant of the toxicant
          (Atmosphere-cubic meters per mole).

VAPRG     Vapor pressure of compound (torr).

KVOG      Measured experimental value for
          (volatilization)  liquid-phase trans-
          port resistance,  expressed as a ratio
          to the reaeration rate (dimension-
          less) .

SOLG      Aqueous solubility of toxicant chemi-
          cal species (mg/Lp).

ESOLG     Exponential term for describing solu-
          bility of the toxicant as a function
          of temperature (see SOLG) (kcal/gram
          mole).

EVPRG     Molar heat of vaporization for vapor
          pressure described as a function of
          temperature (see VAPRG) (kcal/gram
          mole).

EHENG     Constant used to compute Henry's Law
          constants for volatilization as a
          function of environmental tempera-
          tures (TCELG).  When EHENG is non-
          zero, the Henry's Law constant is
          computed as follows (kcal/gram mole):
          log HENRY = HENRYG-((1 000.*EHENG)/
          (4.58*(TCELG+273.15)))

DUMMY     Leave blank.

DUMMY     Leave blank.

FAC       Multiplication factor for sedimenta-
          tion time step.  Recommended 0.1
          (dimensionless).
                                274

-------
                 CONST(K)
             ANAME(K)  DEFINITION AND UNITS
    54
    55
    56
    57
    58
    59,60,61
    62
    63
    64
    65
    66
KDPG
RFLATG
CLOUDG
LATG
DFACG
QUANTG(I,1)
XJTR
CTRIG
DTOPT
TDINT
DUMMY
KDPG      A near-surface photolytic rate con-
          stant for the chemical (per hour).

RFLAT     Reference latitude for corresponding
          direct photolysis rate constant KDPG
          (degrees and decimal fraction (e.g.,
          40.72)).

CLOUD     Average cloudiness in tenths of full
          sky cover (dimensionless, range of
          0.0 to 10.0).

LATG      Geographic latitude of ecosystem
          (degrees and tenths (e.g., 37.2)).

DFACG     Distribution function (ratio of opti-
          cal path length to vertical depth)
          (dimensionless).

QUAN1     Reaction quantum yield in photolytic
QUAN2     transformation of chemical
QUAN3     (dimensionless).

XJTR      Reference segment for triggering
          event and frequency output.  A value
          of zero will disable it (dimension-
          less) .

CTRIG     Trigger concentration that defines a
          peak event (mgc/Lj,) .

DTOPT     Option to optimize time step, if set
          to 1 (dimensionless).

TDINT     Time interval between recalculation
          of decay rates (days).

DUMMY     Leave blank.
                         ORGANIZATION OF RECORDS

     Record 1  is entered once in Data Group H.  Record 2 has 66 entries and
uses 14 lines.  Five entries (ANAME(K)-CONST(K) pairs) will fit per line.
                                     275

-------
2.5.2.9  DATA GROUP I:  Kinetic Time Functions
     NFUNC

     TITLE
                  VARIABLES

      Record 1--Number of Time Functions

        5 for TOXIWASP

        name of data group.
     ANAME(K)


     NOBRK(K)


          K =
1
     Record 2—Time Function Descriptions

        an optional one to five alpha-numeric character
        descriptive name for the time function K.

        number of breaks used to describe the time function
         K.
     Listed below are the five time functions required by TOXIWASP.  Enter
the variable names for ANAME(K) in Record 2 and their respective values for
VALT(K) and T(K) in Record 3.
     K

     1

     2

     3

     4

     5
     VALT(K)
     T(K)
   TEMPN

   WINDN

   PHN

   POHN

   LIGHTN
   ANAME(K)      VALT(K)

                Normalized temperature (dimensionless)

                Normalized wind speed (dimensionless)

                Normalized pH (dimensionless)

                Normalized pOH (dimensionless)

                Normalized light intensity (dimensionless)


           Record 3—Time Functions

   =    value of the function at time T(K) .

   =    time in days.  If the length of the  simulation
        exceeds T(NOBRK), the time function  will repeat
        itself, starting  at T(1),  i.e., the  approximation
        is assumed to be  periodic, with period equal to
        T(NOBRK).

1, NOBRK
                                     276

-------
                         ORGANIZATION OF RECORDS

     Record 1  is entered once in Data Groiip I.   Records 2 and 3,  as  a
set, are repeated 5 times,  within each set,  Record 2 is input once  and
Record 3 uses  an many 80-space lines as needed  to input NOBRK entries.
Four entries (four VALK(K)-T(K)  pairs)  will fit on each 80-space  line.
2.5.2.10  DATA GROUP J:  Initial Conditions—

     No changes,  input is repeated twice,  once for each system.


2.5.2.11  DATA GROUP K:  Stability and Accuracy Criteria—

     No changes.


2.5.2.12  DATA GROUP L:  Intermediate Print Control—

     No changes.


2.5.2.13  DATA GROUP M:  integration Control—

     No changes.


2.5.2.14  DATA GROUP N:  Print Tables

     Input is repeated twice, once for each system

     Display variables are listed in Table  21.


2.5.2.15  DATA GROUP O:  Time Plots

     Input is repeated twice, once for each system.  No changes.


2.5.2.16  DATA GROUP P:  Spatial Plots

     No changes.
                                    277

-------
2.5.3  TOXIWASP Data Group Tables
                                 DATA GROUP G
RECORD
1


2







2









3









3










VARIABLE
NOPAM

TITLE
SCALP(1 )
SCALP(2)
SCALP(3)
SCALP(4)
SCALP(5)
SCALP(6)
SCALP(7)
SCALP (8)
SCALP(9)
SCALP(IO)
SCALP( 1 1 )
SCALP(12)
SCALP(13)
SCALP(14)
SCALP(15)
SCALP(16)
SCALP(17)
SCALP (18)
TEMSG
PARAM(ISEG,1 )
DEPTH
PARAM(ISEG,2)
VELOC
PARAM(ISEG,3)
WINDG
PARAM(ISEG,4)
TYPEE
PARAM(ISEG,5)
BACTO
PARAM(ISEG,6)
ACBAC
PARAM(ISEG,7)
BIOMS

PARAM(ISEG,8)
BIOTM
PARAM(ISEG,9)
POHG
PARAM(ISEGIO)
FORMAT
15

5A4
E10.3
E10.3
E10.3
E10.3
El 0.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
E10.3
A5
F10.0
A5
F10.0
AS
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5

F10.0
A5
F10.0
A5
F10.0
COLUMN
1-10

61-80
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
1-10
11-20
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35

36-45
46-50
51-60
61-65
66-75
SHORT DEFINITION
No. of parameters required =
13.
"G: Environmental parameters".
Scale factor for TEMPM.
Scale factor for DEPTHG.
Scale factor for VELOC
Scale factor for WINDG.
Not relevant.
Scale factor for BACTOG
Scale factor for ACBACG.
Scale factor for BIOMAS.
Scale factor for BIOTMG.
Scale factor for POHGD.
Scale factor for OXRADG.
Scale factor for OCS .
Scale factor for PCTWA.
Scale factor for DSPSED.
Scale factor for PHG.
Scale factor for WS.
Scale factor for CMPETG.
Scale factor for TOTKG.
Average temperature, °C.

Depth, ft.

Average velocity, ft/sec.

Average wind velocity, m/sec.

Segment type.

Bacterial population, cells/mL

Active bacterial fraction.

Total actively sorbing bio-
mass, mg/L

Biotemperature, °C.

pOH.

                                    278

-------
                            DATA GROUP G (Continued)
RECORD










3





VARIABLE
OXRAD
PARAM(ISEG1 1)
DCS
PARAM(ISEG1 2)
PCTWA
PARAM(ISEG13)
DSPSD
PARAM(ISEG14)
PHG
PARAM(ISEG15)
WS
PARAM(ISEG16)
CMPET
PARAM(ISEG17)
TOTKG
PARAM(ISEG18)
FORMAT
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
COLUMN
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-10
21-30
31-35
36-45
SHORT DEFINITION
Concentration of oxidants,
moles/L
Organic carbon fraction of
sediments.
Percent water in benthic
sediments.
Fraction of sediment volume
that mixes.
pH.

Settling, deposition, scour, or
plore water flow.
Light extinction coefficient,
1/m.
Total first order decay rates
calculated externally, 1/day.
ORGANIZATION OF RECORDS
 122   333   ...  333
              NOSEG
                                     279

-------
DATA GROUP H
RECORD
1

2














2














2














VARIABLE
NCONS
TITLE
EBHG1
OONSTd)

EBHG2
CONST(2)

EBHG3
CONST(3)

ENHG1
CONST(4)

ENHG2
CONST(5)

ENHG3
OONST(6)

EAHG1
CONST(7)

EAHG2
CONST(8)

EAHG3
CONSTO)

KAHG1
CONSTdO)

KAHG2
CONSTd 1)

KAHG3
CONSTd 2)

KBHG1
CONSTd 3)

KBHG2
CONST( 1 4)

KBHG3
CONSTd 5)

FORMAT
15
5A4
A5
F1 0.0

A5
F10.0

A5
F1 0.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F1Q.O

A5
F10.0

A5
F10.0

A5
F10.0

AS
F10.0

A5
F10.0

COLUMN
1-10
61-80
1-5
6-15

16-20
21-30

31-35
36-45

46-50
51-60

61-65
66-75

1-5
6-15

16-20
21-30

31-35
36-45

46-50
51-60

61-65
66-75

1-5
6-15

16-20
21-30

31-35
36-45

46-50
51-60

61-65
66-75

SHORT DEFINITION
No. of constants required = 66
"H: Chemical Constants".
Arrhenius activation energy of
base hydrolysis, Kcal/gram-
mole.
Arrhenius activation energy of
base hydrolysis, Kcal/gram-
mole.
Arrhenius activation energy of
base hydrolysis, Kcal/gram-
mole.
Arrhenius activation energy of
neutral hydrolysis, Kcal/
gram-mole.
Arrhenius activation energy of
neutral hydrolysis, Kcal/
gram-mole .
Arrhenius activation energy of
neutral hydrolysis, Kcal/
gram-mole.
Arrhenius activation energy of
acid-hydrolysis, Kcal/gram-
mole.
Arrhenius activation energy of
acid-hydrolysis , Real/gram-
mole.
Arrhenius activation energy of
acid-hydrolysis, Kcal/gram-
mole.
Second-order rate constants
for acid-catalyzed hydroly-
sis, L/mole/hr.
Second-order rate constants
for acid-catalyzed hydroly-
sis, L/mole/hr.
Second-order rate constants
for acid-catalyzed hydroly-
sis, L/mole/hr.
Second-order rate constants
for base catalyzed hydroly-
sis, L/mole/hr.
Second-order rate constants
for base catalyzed hydroly-
sis, L/mole/hr.
Second-order rate constants
for base catalyzed hydroly-
sis, L/mole/hr.
    280

-------
DATA GROUP H (Continued)
RECORD
2









2













2











2








VARIABLE
KNHG1
CONST(16)
KNHG2
CONST(17)
KNGH3
CONST(18)
EOXG1
CONST(19)
EOXG2
CONST ( 20 )
EOXG3
CONST(21)
KOXG1
CONST(22)

KOXG2
CONST(23)

KOXG3
CONST(24)

KBCW1
CONST(25)

KBCW2
CONST(26)

KBCW3
CONST(27)

QTBW1
CONST(28)
QTBW2
CONST (29)
QTBW3
CONST (30)
KBCS1
CONST(31)

KBCS2
CONST(32)

KBCS3
CONST(33)

FORMAT
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F1 0.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0
AS
F10.0
A5
F10.0
A5
F10.0

A5
F10.0

A5
F10.0

COLUMN
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30

31-35
36-45

46-50
51-60

61-65
66-75

1-5
6-15

16-20
21-30

31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15

16-20
21-30

31-35
36-45

SHORT DEFINITION
Rate constants for neutral
hydrolysis, 1/hr.
Rate constants for neutral
hydrolysis, 1/hr.
Rate constants for neutral
hydrolysis, 1/hr.
Arrhenius activation energy of
oxidation, Kcal/gram-mole.
Arrhenius activation energy of
oxidation, Kcal/gram-mole.
Arrhenius activation energy of
oxidation, Kcal/gram-mole.
Second-order rate constants
for oxidation, L/mole oxi-
dant/hr .
Second-order rate constants
for oxidation, L/mole oxi-
dant/hr.
Second-order rate constants
for oxidation, L/mole oxi-
dant/hr.
Second-order rate constants
for water column biodegrada-
tion, mL/cell/hr.
Second-order rate constants
for water column biodegrada-
tion, mL/cell/hr.
Second-order rate constants
for water column biodegrada-
tion, mL/cell/hr.
Q-10 values for water column
biodegradation rate.
Q-10 values for water column
biodegradation rate.
Q-10 values for water column
biodegradation rate.
Second-order rate constants
for benthic biodegradation,
mL/cell/hr.
Second-order rate constants
for benthic biodegradation,
mL/cell/hr.
Second-order rate constants
for benthic biodegradation,
mL/cell/hr.
         281

-------
DATA GROUP H (Continued)
RECORD




2









2









2










2







VARIABLE
QTBS1
CONST(34)
QTBS2
CONST (35)
QTBS3
CONST(36)
KOC
CONST(37)
ROW
CONST(38)
OCB
CONST(39)
DUMMY
CONST (40)
DUMMY
CONSTUO
DUMMY
CONST(42)
MWTG
CONST(43)
HENRY
CONST(44)
VAPRG
CONST (45)
KVOG
CONST(46)
SOLG
CONST(47)
ESOLG
CONST(48)
EVPRG
CONST(49)
EHENG
CONST(SO)

DUMMY
CONST(51)
DUMMY
CONST(52)
FAC
CONST(53)
KDPG
CONST(54)
FORMAT
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0

A5
F1 0.0
A5
F1 0.0
A5
F10.0
A5
F10.0
COLUMN
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
61-65
66-75

1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60
SHORT DEFINITION
Q-10 values for benthic bio-
degradation rate.
Q-10 values for benthic bio-
degradation rate.
Q-1 0 values for benthic bio-
degradation rate.
Organic carbon partition coef-
ficient, Lw/kg organic carbon
Octanol water partition coef-
ficient, Lw/Loct.
Organic carbon fraction of
biomass.

Leave blank.

Leave blank.

Leave blank.
The molecular weight of the
chemical, g/mole.
Henry's Law constant of the
toxicant, atmosphere-m^/mole.
Vapor pressure of compound,
torr.
Measured ratio - volatiliza-
tion to reaeration.
Aqueous solubility, mg/L

Solubility temperature
correction, Kcal/mole.
Molar heat of vaporization,
Real/gram mole.
Constant used to compute
Henry's Law constants, Real/
gram mole.

Leave blank.

Leave blank.
Multiplication factor for
sedimentation time step.
Reference photolytic rate
constant, 1/hr.
          282

-------
                           DATA GROUP  H (Continued)
RECORD



2











2











2

VARIABLE
RFLAT
CONST(55)

CLOUD
CONST(56)
LATG
CONST(57)
DFACG
CONST(58)
QUAN1
CONST(59)

QUAN2
CONST(60)

QUAN3
CONST(61)

XJTR
CONST(62)

CTRIG
CONST(63)
DTOPT
CONST(64)
TDINT
CONST (65)
DUMMY
CONST(66)
FORMAT
A5
F10.0

A5
F1 0.0
A5
F10.0
A5
F10.0
A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0

A5
F10.0
A5
F10.0
A5
F10.0
A5
F10.0
COLUMN
61-65
66-75

1-5
6-15
16-20
21-30
31-35
36-45
46-50
51-60

61-65
66-75

1-5
6-15

16-20
21-30

31-35
36-45
46-50
51-60
61-65
66-75
1-5
6-15
SHORT DEFINITION
Reference latitude for photo-
lysis rate constant KDPG,
degrees .
Average cloudiness, in tenths
of full sky cover.
Geographic latitude of ecosys-
tem, degrees.
Distribution function for
light.
Photolytic reaction yield for
dissolved, sorbed, and bio-
sorbed phases.
Photolytic reaction yield for
dissolved, sorbed, and bio-
sorbed phases.
Photolytic reaction yield for
dissolved, sorbed, and bio-
sorbed phases.
Reference segment for trigger-
ing event and frequency out
put.
Trigger concentration that de-
fines a peak event, mgc/Lrp.
Option to optimize time step,
if set to 1 .
Time interval between recalcu-
lation of decay rates, days.

Leave blank.
ORGANIZATION OF RECORDS:
111  |2|2|2|2|2|2|2|2|2|2|2|2|2|2
                                    283

-------
DATA GROUP I
RECORD
1

2











2

3









2

3









2

VARIABLE
NFUNC
TITLE
TEMPN
NOBRK(I)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
WINDN
NOBRK(I)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
PHN
NOBRK)!)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
POHN
NOBRK(I)
FORMAT
15
5A4
A5
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
A5
15
F10.0
F10.0
F10.0
F10.0
F1 0.0
F10.0
F10.0
F10.0
F10.0
F10.0
A5
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
A5
15
COLUMN
1-5
61-80
1-5
6-10
1-10
1 1-20
21-30
31-40
41-50
51-60
61-70
71-80
•
.
1-5
6-10
1-10
1 1-20
21-30
31-40
41-50
51-60
61-70
71-80
•
.
1-5
6-10
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
•
.
1-5
6-10
SHORT DEFINITION
No. time functions required =5.
"I: Time Functions".
Normalized temperature.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
K = 2

K = 3

K = 4

K = NOBRK(I)

Normalized wind speed.
Number breaks used .
Value of time functions.
Time in days; K = 1 .
K = 2

K = 3

K = 4

K = NOBRK(I)

Normalized pH.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
K = 2

K = 3

K = 4
.
K = NOBRK(I)

Normalized POH.
Number breaks used.
    284

-------
                           DATA GROUP  I  (Continued)
RECORD
3









2

3









VARIABLE
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
•
VALT(K)
T(K)
LIGHTN
NOBRK(I)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
VALT(K)
T(K)
•
VALT(K)
T(K)
FORMAT
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
F10.0
F10.0
A5
15
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
F10.0
•
F10.0
F10.0
COLUMN
1-10
1 1-20
21-30
31-40
41-50
51-60
61-70
71-80
•
•
.
1-5
6-10
1-10
11-20
21-30
31-40
41-50
51-60
61-70
71-80
*
*
•
SHORT DEFINITION
Value of time functions.
Time in days; K = 1
K = 2

K = 3

K = 4
•
K = NOBRK(I)

Normalized light intensity.
Number breaks used.
Value of time functions.
Time in days; K = 1 .
K = 2

K = 3

K = 4
•
K = NOBRK(I)

ORGANIZATION OF RECORDS
                                    285

-------
2.5.4  TOXIWASP Variable Definitions
  VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
 A(J)
 ACBAOS(J)
 MAIN
 TOXIWASPB
 TOXINIT
 TOXIFORD
 ACBACL
 TOXIFORD
 ALPH A( I)
 TOXIWASPB
 TOXIFORD
 TOXIDUMP
 TOXISETL
 TOXISEDW
Cross sectional area between exchanging
  sediment and water compartments, input
  in subroutine HASP2.

Proportion of bacterial population that
  actively degrades toxicant,  if the
  biolysis rate constants are not based
  on natural mixed bacterial popula-
  tions, the total bacterial populations
  (BACTOG) given for each compartment
  can be modified via ACBACG to give the
  size of the population that is active-
  ly degrading the toxicant (nominal
  range:  0.0 - 1.0).

Active bacterial population for segment
  being considered.  Equal to BACTOG(J),
  Water column compartments:

  Benthic compartments:
The values of ALPHA are distribution
  coefficients (fraction of total con-
  centration of toxicant (Y) present as
  a particular species/form configura-
  tion of the molecule) for each ecosys-
  tem compartment.  ALPHA vector repre-
  sents the plartitioning of each spe-
  cies among three physical forms
  (dissolved, sediment-sorbed, bio-
  sorbed).  ALPHAS are calculated in-
  ternally from the parameters, con-
  stants, and state variables describ-
  ing the segment, including the pre-
  dicted concentration, the sediment,
  the bimass, the octonol-water parti-
  tion coefficient, etc.  In the output
  these ALPHAS are designated by DISSF,
  SEDF and BIOLF.

ALPHA( 1 )
  Fraction of toxicant present as the
  neutral molecule (SH2) dissolved in
  the water phase of the compartment.
 ft2
 dimen-
 sion-
 less
 ratio
cells/
 ml
cells/
ml pore
 water

 uni t-
 less
                                    286

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
ALPH1M
 TOXIWASPB
 TOXISEDW
ALPH2M
 TOXIWASPB
 TOXISEDW
BACTOG(J)
 TOXIWASPB
 TOXINIT
 TOXIFORD
ALPHA(2)
  Fraction present as neutral molecule
  sorbed with sediment phase of com-
  partment.

ALPHA(3)
  Fraction present as neutral molecule
  sorbed with compartment biomass.

Fraction of chemical sorbed onto sedi-
  ment phase of the segment immediately
  above the bed.  Equal to ALPHA(2) for
  that segment.  Transferred to sub-
  routine TOXISEDW for calculation of
  bed-water column mixing of chemical.

Fraction of chemical sorbed onto sedi-
  ment phase of the segment immediately
  above the bed.  Equal to ALPHA(2) for
  that segment.  Transferred to sub-
  routine TOXISEDW for calculation of
  bed-water column mixing of chemical.

Bacterial population density in each
  water column compartment.  Benthic
  compartments:  cells per 100 grams
  dry weight of sediment.

Internally, BACTOG(J) is multiplied by
ACBACG(J)  to give active population
density.  For the sediment, BACTOG is
converted to cells per milliliter pore
water.  The conversion used is:

  BACTOG(J) = BACTOG(J)  * SED/FRW(1E08)

where:
                                 cells
                                  cells
                        BACTOG
                              1
                                 100 g   100 * 1000 mgs
                               W
                        FRW = — = 	 * 1000
                              1 m   1 m


                        SED(mg/ml) = (1/1 000)SED(mg/1T)/FRW
 unit-
 less
 unit-
 less
cells/
 ml
                                   287

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
UNITS
BETA
BIOFAC
BIOMAS(J)
 TOXIVOLT
 TOXIWASPB
 TOXIWASPB
 TOXINIT
 TOXIFORD
BIOLKL
 TOXIWASPB
 TOXIFORD
 TOXIDUMP
Same as ALPHA( 1 ) for water compartments    unit-
  that intersect surface.                  less

Intermediate variable for determining      unit-
  fraction of chemical sorbed onto bio-    less
  logical phase of a segment.

Total actively sorbing biomass in each     mg/L
  ecosystem compartment.  This parameter    or
  is used in computation of sorption of    g/m2
  the toxicant on plant/animal mate-
  rial in the ecosystem compartments.
  The parameter is interpreted differ-
  ently for the water column versus the
  benthic compartments.  For a water
  column compartment, total biomass must
  be expressed as milligrams (dry weight)
  per liter of water in the compartment,
  and it includes all biomass subject to
  biosorptive exchange with that water.
  In the case of benthic compartments,
  BIOMAS is the total biomass of the
  benthic infauna and other components
  in grams (dry weight) per square meter
  of bottom.

Note that in this simplification from
EXAMS, movable biomass (e.g., plankton)
is not distinguished from stationary
biomass (e.g., roots).  This is a poten-
tial source of error in systems having
high biotic content.

Water column compartments:  mg (dry
  weight) per liter
Benthic compartments:  grams (dry
  weight) per square meter.

Total pseudo-first-order degradation       hr~1
  rate constant (per hour) for bac-
  terial biolysis.
                                    288

-------
VARIABLE
BIOTMG(J)








BMASS(J)




BOTLIT

BURY







BVOLO(J)



CBB




CBW




POUND IN
SUBROUTINE
TOXIWASPB
TOXIFORD







TOXIWASPB
TOXIFORD
TOXISETL


T OX I PHOT
TOXINIT
TOXISETL







TOXIWASPB
TOXIFORD
TOXISETL

TOXIWASPB
TOXIDUMP



TOXIWASPB
TOXIDUMP



DEFINITION
Bio temperature in each exosystem com-
partment, i.e., temperature to be used
in conjunction with Q-10 expressions
for biolysis rate constants. This
parameter is separated from the physi-
cal temperature input data (TCELG) in
order that the input data can reflect
Q-10 averaging of an observed tempera-
ture time-series.
Mass of chemical lost from the network
during the simulation. Chemical can
be lost by volatilization through a
surface water segment or burial
through a bottom bed segment.
Light level at bottom of compartment.

Net burial or erosion rate of top
benthic segment. Equal to the time
variable depth of sediment settling
in from the overlying water column
minus the time-constant depth of sedi-
ment eroding. Both the settling and
erosion rates are entered through the
spatially-variable parameter WS ( J) .
Volume of the surface bed segment at
time 0. The volume of the surface bed
segment is reset to BVOLO during the
compaction cycle.
Concentration of chemical sorbed onto
biological phase of bed segment JSTR.
Values transferred to TOXIDU every 3
hours for saving on the statistical
file.
Concentration of chemical sorbed onto
biological phase of water segment
JTR. Values transferred to TOXIDU
every 3 hours for saving on the
statistical file.
UNITS
°C








kg




unit-
less
m/yr







million
ft3


mg/g




ug/g




289

-------
VARIABLE
CSB




CSW




CTB



CTW



C1B




C1W




CHEM


CHEM1

CHEM2

CHEM3

POUND IN
SUBROUTINE
TOXIWASPB
TOXIDUMP



TOXIWASPB
TOXIDUMP



TOXIWASPB
TOXIDUMP


TOXIWASPB
TOXIDUMP


TOXIWASPB
TOXIDUMP



TOXIWASPB
TOXIDUMP



TOXIWASPB
TOXISETL
TOXISEDW
TOXIDUMP

TOXIDUMP

TOXIDUMP

DEFINITION
Concentration of chemical sorbed onto
sediment phase of water segment JTR.
Values transferred to TOXIDU every 3
hours for saving on the statistical
file.
Concentration of chemical sorbed onto
sediment phase of water segment JTR.
Values transferred to TOXIDU every 3
hours for saving on the statistical
file.
Total concentration of chemical in bed
segment JSTR. Values transferred to
TOXIDU every 3 hours for saving on
the statistical file.
Total concentration of chemical in water
segment JTR. Values transferred to
TOXIDU every 3 hours for saving on
the statistical file.
Concentration of chemical dissolved in
water phase of bed segment JSTR.
Values transferred to TOXIDU every 3
hours for saving on the statistical
file.
Concentration of chemical dissolved in
water phase at water segment JTR.
Values transferred to TOXIDU every 3
hours for saving on the statistical
file.
Chemical concentration in segment,
equivalent to C(J,1).

Chemical dissolved in water phase of
current segment.
Chemical sorbed onto sediment phase in
current segment.
Chemical sorbed onto biological phase in
current segment.
UNITS
mgc/kgs




mgc/kgs




mgc/Lj



mgc/Lrj



rage/I^




mgc/Lw




mg/LT


mgc/Lj

mgc/Lj.

mgc/Lrp

290

-------
VARIABLE
CHEMB
CHEMS
CHEMW
CHEM1S
CHEM2S
CHEMSS
CHEM1W
CHEM2W
CHEMSW
CLOUDG
CMAX(9)
CMAX(10)
POUND IN
SUBROUTINE
TOXIDUMP
TOXIDUMP
TOXIDUMP
TOXISEDW
TOXISEDW
TOXISEDW
TOXISEDW
TOXISEDW
TOXISEDW
TOXIWASP
TOXIFORD
TOXIPHOT
TOXIWASPB
TOXIN IT
TOXINIT
DEFINITION
Chemical sorbed onto biological phase in
current segment.
Chemical sorbed onto sediment phase in
current segment.
Chemical dissolved in water phase of
current segment.
Chemical concentration dissolved in pore
water in bed segment.
Chemical concentration sorbed on sedi-
ment in bed segment.
Chemical concentration sorbed on sedi-
ment in bed segment.
Chemical concentration dissolved in
water segment above bed segment.
Chemical concentration sorbed on sedi-
ment in water segment above bed
segment.
Chemical concentration on sorbed sedi-
ment in water segment above bed
segment.
Average cloudiness in tenths of full
sky cover (range of 0.0 to 10.0).
The concentration of a 1 0~~^ molar solu-
tion of chemical, or half the chemical
solubility, whichever is less.
CMAX(9) is used to abort the simula-
tion whenever dissolved chemical con-
centration rises above this limit.
This prevents violation of the model's
first-order kinetics assumption. This
check is activated only when CMAX( 1 )
is set to 0.
Half the chemical solubility.
UNITS
ugc/
^biomass
mgc/kgs
-^
mgc/l^
mgc/Lrp
mgc/kgs
mgc/Lj
"90/I"
mgc/kgs
unitless
mgc/Lw
-gc/w
291

-------
VARIABLE
CMPETG(J)


COND

CTRIG
















DELT




DENOM



DEPTH

DEPTHG( J)





POUND IN
SUBROUTINE
TOXIWASPB
TOXIPHOT

TOXIVOLT

TOXIWASPB
TOXINIT
TOXIDUMP














TOXIWASPB




TOXIWASPB



TOXIWASPB
TOXISETL
TOXIWASPB
TOXIFORD
TOXINIT
TOXIVOLT
TOXIPHOT
TOXISETL
DEFINITION
Single-valued zenith light extinction
coefficients for water columns, dummy
variable for benthic compartments.
Inverse of addition of series resis-
tances of gas and liquid interfaces.
Trigger concentration that defines a
peak event. When the chemical concen-
tration in segment JTR rises above
CTRIG, a peak event is flagged. Con-
centrations for all segments are
printed out every 3 hours until the
concentration falls below CTRIG and
the event ends. This option is de-
signed to catch high transient concen-
trations that would be missed by the
regular WASP dumps. If less frequent
peak printout is desired, statement 68
in TOXIDUMP can be changed from PNEXT
=3.0 to, say PNEXT = 8.0. This would
cause printouts every 8 hours during
peak events. A trigger concentration
of 0 will disable event printouts.
Intermediate value of simulation time
step used for maximizing time step to
minimize numerical dispersion and
simulation cost. Ranges between 0.01
and 0.50 days.
Intermediate variable for calculating
fractions of chemical dissolved,
sorbed onto sediment, and sorbed onto
biomass.
Depth of segment being considered.

Depths of segments.





UNITS
m-1


m/hr-1

mgc/Lrj
















day




unitless



ft

ft





292

-------
VARIABLE
DEPTHM


DFAOG

DISP





DISPV(J)








DSPSED(J)



DTOPT







E(J)





EAHG(I,1 )


POUND IN
SUBROUTINE
TOXIWASPB
TOXIPHOT
TOXISETL
TOXIWASPB
TOXIPHOT
TOXISEDW





TOXIWASPB
TOXISEDW







TOXIWASPB
TOXISEDW


TOXIWASPB













TOXIFORD


DEFINITION
Depth of segment being considered.


Distribution function (ratio of optical
path length to vertical depth) .
Volumetric dispersion between a bed and
an overlying water segment, or between
two vertically adjacent bed segments.
DISP is brought from WASP2 using
BR(I), and is corrected internally
for its resulting mixed units.
Dispersive exchange volumes between
sediment and water compartments.
Water-water exchanges are calculated
in WASP2. Sediment-water exchanges
are calculated in TOXISEDW using
characteristic lengths, areas, and
dispersion from WASP2, along with
porosity and other factors from
TOXISEDW.
Fraction of sediment that mixes. 1 .0 is
equivalent to full bed sediment dis-
persion, 0.0 is equal to pore water
diffusion only.
Option to optimize time step. If set to
1 , program computes maximum time that
preserves numerical stability through-
out network. Both flow volumes and
dispersive exchange volumes are kept
less than or equal to segment volumes.
Time step can vary between 0.01 days
and 0.5 days.
Sediment-water dispersion coefficient
input in WASP2. E is a composite of
.direct sorption to the sediment sur-
face, mixing of the sediments by
benthic animals, stirring by demersal
fishes, etc.
Arrhenius activation energy of specific-
acid-catalyzed hydrolysis of the
toxicant.
UNITS
m


unitless

MCF/sec
.cm2 /mi 2




million
ft3/day







unitless











cm^/sec





kcal/
gram
mole
293

-------
 VARIABLE
FOUND IN
SUBROUTINE
             DEFINITION
 UNITS
EBHG(I,1)
EHENG
 TOXIFORD
 TOXIVOLT
ENHG(I,1)
EOXG(I,1)
ESOLG
EVPRG
EXDO
EXUP
FAC
 TOXIFORD
 TOXIFORD
 TOXIVOLT
 TOXIVOLT
 TOXISEDW
 TOXISEDW
 TOXINIT
FACTOR
 TOXIPHOT
Arrhenius activation energy of specific-
  base-catalyzed hydrolysis of the
  toxicant.

Constant used to compute Henry's Law
  constants for volatilization as a
  function of environmental temperatures
  (TCELG).  When EHENG is non-zero, the
  Henry's Law constant is computed as
  follows:

  log HENRY = HENRYG-( (1000.*EHENG)/
  (4.58*(TCELG+273.15)))

Arrhenius activation energy of neutral
  hydrolysis of the toxicant.
Arrhenius activation energy of oxidative
  transformation of the toxicant.
Exponential term for describing solubi-
  lity of the toxicant as a function of
  temperature (see SOLG).

Molar heat of vaporization for vapor
  pressure described as a function of
  temperature (see VAPRG).

Chemical sorption rate from lower water
  column segment to top bed segment.
Chemical desorption rate from upper bed
  segment to lower water column segment.
Multiplication factor for sedimentation
  time step.  Set FAC to 1.0 to elimi-
  nate numerical dispersion in the bed.
  For smoother output with some numeri-
  cal dispersion, set FAC to 0.1.

Latitude correction factor by which the
  photolysis rate is adjusted from the
  rate at the reference latitude.
kcal/
gram
mole

kcal/
gram
mole
kcal/
gram
mole

kcal/
gram
mole

kcal/
gram
mole

kcal/
gram
mole

MCF/day
MCF/day
.mgc/Lrp
                                                                 unitless
                                                                 unitless
                                   294

-------
VARIABLE
FRW(J)



FVOL






HENRYG





HENRYL

HPLUS



HYDRKL



HYDRX



11 , 12


ICHK



FOUND IN
SUBROUTINE
TOXIWASPB
TOXINIT
TOXISETL
TOXISEDW
TOXISETL






TOXIFORD
TOXIVOLT




TOXIVOLT

TOXIFORD



TOXIFORD
TOXIDUMP


TOXIFORD



TOXISEDW


TOXIWASPB



DEFINITION
Porosity, or water fraction in sediment
on a volumetric basis. Calculated
from the parameter PCTWA(J).

The fractional volume of the surface bed
segment that is to be compacted into
the volume of the second bed segment
during the compaction cycle. The
difference between FVOL and the volume
of the second bed segment is SVOL, the
pore water squeezed out.
Henry's Law constant of the toxicant.
If parameter EHENG is non-zero, HENRYG
is used as the pre-exponential factor
in computing the Henry's Law constant
as a function of environmental
temperature (TCELG) .
Local value of HENRYG. If HENRYG is
zero, model will calculate value.
Intermediate calculation in obtaining
temporally averaged concentration
of hydronium ions.
HPLUS = 1 0**(=PHG)
Total pseudo-first-order rate constant
(per hr) for hydrolytic transforma-
tions of the toxicant in each com-
partment.
Intermediate calculation in obtaining
temporally averaged concentration of
hydroxide ions.
HYDRX = 10**(-POHG)
Local variables representing segments
involved in exchange. (See "IR(I),
JR(I)" card group B) .
Integer flag denoting day on which last
set of daily flows and nonpoint source
loads were read from auxiliary file.
Saved in COMMON as TIMCHK.
UNITS
LW/LT



million
ft3





m^/mole





m^/mole





hr-1



unitless



unitless


unitless



295

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
ICOUNT
ILCOL
IL(J)
INDEXS
INDEXW
I OPT
ITCHK
ITIMEC
I TYPE
I ZERO
JROW
JSTR
 TOXIDUMP
 TOXINIT
 MAIN
 TOXIWASPB
 TOXIFORD
 TOXIWASPB
 TOXIFORD
 TOXIDUMP
 TOXIWASPB
 TOXINIT
 TOXIWASPB
 TOXINIT
 TOXISETL

 TOXIPHOT
 TOXINIT
 TOXIWASPB
 TOXINIT
 TOXIDUMP
Number of entries into auxiliary file
  for statistical analysis.  Integer
  value of TCOUNT.

Subscript indicating column in table of
  daily flows from auxiliary file (1-10)

Characteristic length for dispersive
  exchange, input in WASP2.

INDEXS is an internally calculated flag
  designating a benthic compartment.
  INDEXS is 1 for benthic compartments
  (TYPEE = 3 or 4), 0 for water compart-
  ments (TYPEE =1 or 2) .

INDEXW is an internally calculated flag
  designating a water column compart-
  ment.  It takes a value of 1 for water
  compartments (TYPEE = 1 or 2) and a
  value of 0 for benthic compartments
  (TYPEE = 3 or 4).

Flag designating type of output desired
  in TOXIDU.

Integer flag denoting whether a full day
  has plassed since the last set of
  flows and nonpoint source loads were
  read from auxiliary file.

Integer flag denoting the current simu-
  lation day.  The integer value of TIME
Flag designating segment type.
  integer value of TYPEE(J).
                                                        The
Light intensity at top of lower level
  water compartment, 0.0 to 1.0.

Subscript indicating row in table of
  daily flows from auxiliary file.

Top bed segment below water segment FTR
  Concentrations in JSTR are printed out
  during peak "events," and are saved
  every 3 hours on an auxiliary statis-
  tical file.
unitless
                                                                 unitless
                                                     ft
                                                                 unitless
                                                                 unitless
                                                                 unitless
                                                                 unitless
                                                                 unitless
                                                     unitless
                                                                 unitless
                                                                 unitless
                                                                 unitless
                                    296

-------
 VARIABLE
TOUNO IN
SUBROUTINE
             DEFINITION
 UNITS
 JTR
 TOXIWASPB
 TOXIDUMP
JL(J)


KAHG(I,1
 MAIN
 TOXIFORD
KAHL
KB
KBACSG(I,1)
 TOXIFORD
 TOXIWASPB
 TOXIFORD
 TOXINIT

 TOXIFORD
Segment used to trigger event printouts
  when total chemical concentration
  exceeds CTRIG.  Saved in COMMON as
  XJTR.  Concentrations in JTR are
  printed out during peak events, and
  are saved every 3 hours on an auxi-
  liary statistical file.

Characteristic length for dispersive
  exchange input in WASP2.

Second-order rate constants for speci-
  fic-acid-catalyzed hydrolysis of toxi-
  cant.  If the corresponding entry in
  the Arrhenius activation energy matrix
  (EAHG) for this reaction is zero, the
  value entered in KAHG is taken as the
  second-order rate constant.  If the
  corresponding entry in the activation
  energy matrix (EAHG) is non-zero, the
  value entered in matrix KAHG is inter-
  preted as the base-10 logarithm of the
  frequency factor in an Arrhenius func-
  tion for the reaction, and local
  values (KAHL) of the second-order rate
  constant are computed as a function of
  temperature (TCELG) in each system
  compartment.

Local value of KAHG(I,1) corrected for
  temperature.
Effective biomass partition coefficient.
  Calculated internally by multiplying
  OCB and KOW.

Second-order rate constants for benthic
  sediment bacterial biolysis of the
  organic toxicant.  If the correspond-
  ing entry in the Q-10 matrix (QTBASG)
  for this process is zero, the number
  entered in matrix KBACSG is taken as
  the second-order rate constant.  if
  the corresponding entry in the Q-10
  matrix is non-zero, the value of the
  second-order rate constant at 20
ft
L/mole
[H+]-hr
L/mole
[H+]-hr
Lw/kgb
ml/cell-
hr
                                   297

-------
 VARIABLE
FOUND IN
SUBROUTINE
             DEFINITION
 UNITS
KBACSL
KBACWG(I,1)
 TOXIWASPB
 TOXIFORD

 TOXIFORD
KBACWL
KBHG(I,1)
 TOXIWASPB
 TOXIFORD
KBHL
 TOXIWASPB
 TOXIFORD
  degrees C., and local values (KGACSL)
  of the rate constant are computed as a
  function of temperature (BIOTMG) in
  each ecosystem compartment.

Local value of KBACSG(I,1), corrected
  for temperature.

Second-order rate constants for water
  column bacterial biolysis of the
  toxicant.  If the corresponding entry
  in the Q-10 matrix (QTBAWG) for this
  process is zero, the number entered in
  matrix KBACWG is taken as the second-
  order rate constant.  if the corres-
  ponding entry in the Q-10 matrix is
  non-zero, the value entered in matrix
  KBACWG is interpreted as the numerical
  value KBACWL of the rate constant are
  computed as a function of temperature
  (BIOTMG) in each ecosystem compart-
  ment.

Local value of KBACWG(J), corrected for
  temperature.

Second-order rate constants for speci-
  fic-base-catalyzed hydrolysis of toxi-
  cant.  If the corresponding entry in
  the Arrhenius activation energy matrix
  (EBHG) for this reaction is zero, the
  value entered in KBHG is taken as the
  second-order rate constant.  If the
  corresponding entry in the activation
  energy matrix (EBHG) is non-zero, the
  value entered in matrix KBHG is inter-
  preted as the base-10 logarithm of the
  frequency factor in an Arrhenius func-
  tion for the reaction, and local
  values (KBHL) of the second-order rate
  constant are computed as a function of
  temperature (TCELG) in each system
  compartment.

Local value of KBHG(I,1), corrected for
  temperature.
ml/ce 11-
hr

hr
mg/ce 11-
hr

L/mole
[OH-]-hr
L/mole
 [OH-]-hr
                                    298

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
KDPG
 TOXIPORD
 TOXIPHOT
KDPL
KNHG(1,1)
 TOXIPORD
 TOXIPHOT

 TOXIPORD
KNHL
K02G(J)
KO2L
KOC
 TOXIFORD
 TOXIWASPB
 TOXINIT
 TOXIVOLT
 TOXIWASPB
 TOXIVOLT
 TOXIWASPB
 TOXINIT
A near-surface photolytic rate constant
  for the toxicant.  The value of KDPG
  represents the outcome of an experi-
  ment conducted in natural sunlight.
  The constant is a temporally averaged
  (e.g., over whole days, seasons, etc.)
  first-order photolytic transformation
  rate constant pertaining to cloudless
  conditions at some reference latitude
  RFLATG.

Locally adjusted value of KDPG returned
  from TOXIPHOT.

Rate constants for neutral hydrolysis of
  organic toxicant,  if the correspond-
  ing entry in the Arrhenius activation
  energy matrix (ENHG) for this reaction
  is zero, the value entered in KNHG is
  taken as the rate constant,  if the
  corresponding entry in the activation
  energy matrix (ENHG) is non-zero, the
  value entered in matrix KNHG is inter-
  preted as the base-10 logarithm of the
  frequency factor in an Arrhenius func-
  tion for the reaction, and local
  values (KNHL) of the rate constant are
  computed as a function of temperature
  (TCELG) in each system compartment.

Local value of KNHG(I,1), corrected for
  temperature.

Reaeration parameter at 20 degrees C in
  each ecosystem compartment.  Calcu-
  lated from segment depths and veloci-
  ties, and time-varying wind.

Reaeration parameters in each compart-
  ment after temperature adjustment and
  units conversion.

Organic carbon partition coefficient.
  Value of KOC read in or it equal to
  zero, calculated from KOW.  Multipli-
  cation of KOC by the fractional or-
  ganic carbon content (OCS) of each
hr-1
unitless
hr~1
hr-1
cm/hr
m/hr
                                                                 organic
                                                                 carbon
                                   299

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
KOW
KOXG(I,1)
 TOXIWASPB
 TOXINIT
 TOXIFORD
KOXL
 TOXIFORD
KP(J)
KT
KVOG
 TOXIWASPB
 TOXINIT
 TOXISETL
 TOXINIT
 TOXIVOLT
K20
 TOXIFORD
 TOXIREOX
  system sediment yields the partition
  coefficient for sorption of unionized
  (SH2) compound to the sediment.

Octanol water partition coefficient.
  Value of KOW read in, or if equal to
  zero, calculated from KOC.

Second-order rate constants for oxida-
  tive transformation of toxicant,  if
  the corresponding entry in the
  Arrhenius activation energy matrix
  (EOXG) for this reaction is zero, the
  value entered in KOXG is taken as the
  second-order rate constant.  If the
  corresponding entry in the activation
  energy matrix (EOXG) is non-zero, the
  value entered in matrix KOXG is inter-
  preted as the base-10 logarithm of the
  frequency factor in an Arrhenius func-
  tion for the reaction, and local
  values (KOXL) of the second order con-
  stants are computed as function of
  temperature (TCELG) in each system
  compartment.

Local value of KOXG(I,1), corrected for
  temperature.
Effective sediment partition coeffi-
  cient.  Internally calculated as the
  product of KOC and OCS(J), and saved
  as Parameter 12.

Daily counter for reading nonpoint
  source loads from auxiliary tape and
  printing table (1-1000).

Measured experimental value for (vola-
  tilization) liquid-phase  transport
  resistance, expressed  as  a ratio to
  the reaeration rate.

The computed reaeration  rate at 20°C.
  Used  to calculate the  chemical vola-
  tilization rate.
Lw/Loct
L/mole
envi r on-
mental
oxidant/
hr
L/mole
environ-
mental
oxidant/
hr

Iv/kgs
day
                                                                 unitless
day-1
                                    300

-------
VARIABLE
LATG
LIGHTL
LIGHTN
LOPT

MOQ
MOQS
MQOPT
MTYPE
MWTG
NCOL
NCWKS
POUND IN
SUBROUTINE
TOXIPHOT
TOXIPHOT
TOXIWASPB
TOXIPHOT
TOXIWASPB
TOXIN IT

TOXIWASPB
TOXINIT
OXIWASPB
TOXINIT
TOXINIT
TOXINIT
TOXIVOLT
TOXINIT
TOXIWASPB
TOXINIT
DEFINITION
Geographic latitude of ecosystem.
The average light intensity in the
current compartment, as a fraction of
the near-surface light intensity
(taken as 1.0 or 100%).
Normalized light time function, trans-
ferred through COMMON as constant 78
to TOXIPHOT. There it adjusts the
average photolysis rate for seasonal
light variability.
Option to read in flows and/or nonpoint
source loads on a daily basis:
0 = skip daily read option
1 = read sequential tape containing
daily flows and/or loads
Number of flow pairs read from auxil-
iary file daily. MOQ is read from
auxiliary file by TOXINIT and passed
to TOXIWASPB through COMMON as the
floating point variable MOQS.
Number of flow pairs read from auxil-
iary file daily. MOQS is set equal to
MOQ in TOXINIT and saved in COMMON as
constant 83.
Flow option read from auxiliary file.
Not used.
Flag designating type of segment
immediately above current segment.
Integer value of TYPER(J-I).
The molecular weight of the toxicant.
Variable indicating the number of column
entries in the last row of daily flows
from auxiliary file.
Number of nonpoint source loads read
from auxiliary file daily. NOWKS is
read from auxiliary file by TOXINIT
and passed to TOXIWASPB through COMMON
as constant 84.
UNITS
degrees
unitless
unitless
unitless

unitless
unitless
unitless
unitless
g/mole
unitless
unitless
301

-------
VARIABLE
NPSWK(I,J)
NWKS
OCB
OCS(J)
OXIDKL
OXRADG(J)
PCTWA(J)
PERC
PERCMS
PH
FOUND IN
SUBROUTINE
TOXIWASPB
TOXINIT
TOXIWASPB
TOXINIT
TOXINIT
TOXINASPB
TOXINIT
TOXIFORD
TOXIDUMP
TOXIFORD
TOXIWASPB
TOXISETL
TOXISETL
TOXIWASPB
TOXIFORD
DEFINITION
Nonpoint source load j for constituent I
(chemical or sediment) , read from
auxiliary file daily. The segment
into which load j discharges is de-
fined in Card Group F: Forcing
Functions.
Number of nonpoint source loads read
from auxiliary file daily. NWKS
is the integer value of NOWKS .
Organic carbon content of the compart-
ment biomass as a fraction of dry
weight. Coupled to ROW to generate
biomass partition coefficient.
Organic carbon content of sediments as
fraction of dry weight. Parameter is
coupled to KOC to generate the sedi-
ment partition coefficient as a func-
tion of a property of the sediment.
Pseudo-first-order rate constants for
oxidative transformation of toxicant.
Molar concentration of environmental
oxidants (e.g., peroxy radicals) in
each ecosystem compartment.
Percent water in bottom sediments of
benthic compartments. PCTWA(J) should
be expressed as the conventional soil-
science variable (fresh/dry weight);
all values must be greater than or
equal to 1 .
Pore water percolation, calculated from
the spatially-variable parameter WS(J)
for type 4 (subsurface benthic) seg-
ments.
Mass transport rate of dissolved chem-
ical in pore water.
Hydrogen ion activity of segment being
considered. Local value of PHG( J) .
UNITS
Ib/day
unitless
unitless
unitless
hr-1
moles/L
unitless
million
ft3/day
MCF/day
PH
302

-------
VARIABLE
PHG(J)





PHOTKL


PHN

POHN


PNEXT


POH

POHG(J)





POROS




PTIME
QT(I)

QTBASG(I,1)





POUND IN
SUBROUTINE
TOXIWASPB





TOXIFORD
TOXIDUMP

TOXIWASPB

TOXIWASPB


TOXIWASPB
TOXIDUMP

TOXIWASPB
TOXIFORD
TOXIWASPB





TOXISEDW




TOXIDUMP
TOXINIT

TOXIFORD





DEFINITION
Hydrogen ion activity. The negative
value of the power to which 10 is
raised in order to obtain the tempo-
rally averaged concentration of hydro-
nium ions [H3O+] in gram-molecules per
liter.
Pseudo-first-order rate constant for
photolytic transformation of the
toxicant.
Normalized time function for PH. Ad-
justs PHG(J) for seasonal variability.
Normalized time function for POH. Ad-
justs POHG(J) for seasonal variabi-
lity.
Triggers event printout every 3 hours
during peak event period. Local
value of POHG(J) .
Hydroxide ion activity of segment being
considered. Local value of POHG( J) .
Hydroxide ion activity. The negative
value of the power to which 10 is
raised in order to obtain the tempo-
rally averaged concentration of
hydroxide [OH-] ions in gram-molecules
per liter.
Porosity of top bed segment, used in
computing dispersive exchange between
bed and water column. For computing
dispersive exchange between two bed
segments, POROS is the mean porosity.
Rounded-off value of TIME for output.
Variable for temporary storage of daily
flows from auxiliary file.
Q-10 values for bacterial transformation
(c.f. KBACSG) of organic toxicant in
benthic sediments. The Q-10 is the
increase in the second-order rate con-
stant resulting from a 10 degree C
temperature increase.
UNITS
PH





hr-1


unitless

unitless


unitless


POH

pOH





LW/LT




day
unitless

unitless





303

-------
 VARIABLE
POUND IN
SUBROUTINE
             DEFINITION
 UNITS
QTBAWG(I,1)
 TOXIFORD
QUANTG(I,1)
 TOXIFORD
RATEK



RESGAS

RESLIQ


RFLATG



RVOL(J)
 TOXIVOLT
 TOXIPHOT
 TOXIVOLT

 TOXIVOLT


 TOXIWASPB
 TOXINIT
 TOXISBTL
Q-10 values for bacterial transformation
  (c.f. KBACWG) of chemical in the water
  column of the system.  Q-10 is the
  increase in the second-order rate con-
  stant resulting from a 10 degree C
  temperature increase.

Reaction quantum yield in photolytic
  transformation of chemical.  The quan-
  tum yield is the fraction of total
  quanta absorbed by the toxicant re-
  sulting in transformations.  Separate
  values are provided for each molecular
  configuration of the toxicant in order
  to make assumptions concerning their
  relative reactivities readily avail-
  able to the user.

Internally calculated rate returned from
  TOXIVOLT or TOXIPHOT to TOXIFORD for
  use as VOLKL or KDPL.

Gas film resistance to volatilization.

Liquid film resistance to volatiliza-
  tion.

Reference latitude for corresponding
  direct photolysis rate constant
  (c.f. KDPG).

Reference volume at which the sediment
  compaction cycle is initiated for sur-
  face bed segment "J".  RVOL(J) is com-
  puted in TOXINIT for each surface bed
  segment and is stored in location
  RVOL(J-1)  [equivalenced to VVOL(J-1)].
  RVOL(J) is the surface bed volume that
  will hold the mass of sediment con-
  tained in the upper two bed segments
  at time 0.  RVOL(J) will be greater
  than the combined volume of the upper
  two bed segments at time 0 if the
  density of the second bed segment is
  greater than the top bed segment.
unitless
unitless
unitless



hr/m

hr/m


40.72



million
ft3
                                    304

-------
VARIABLE
SCALQ
SED


SEDCOL

S EOF AC

SEDFL
SETINS,
SETOUS

SETINC,
SETOUC



SEDW
SMASS
FOUND IN
SUBROUTINE
TOXIN IT
TOXIWASPB
TOXIDUMP
TOXISETL
TOXISEDW
TOXISEDW

TOXIWASPB

TOXISEDW
TOXISETL

TOXISETL



TOXISEDW
TOXISETL
DEFINITION
Scale factor to convert daily flows from
auxiliary file to cubic.
Sediment concentration of segment being
considered.


Sediment concentration after conversion
to internal units (kg/liter of water)
in sediment compartment.
Intermediate variable for determining
fraction of chemical sorbed onto sedi-
ment phase of a segment.
Rate of sediment mixture to the surface
of the bed, allowing sorption or
desorption with the overlying water.
Related to the dispersive exchange of
water by the spatially- varying para-
meter DSPSED( J) .
Sediment settling into or out of com-
partment. These variables are trans-
ferred to TOXIWASPD to hold the values
until the next call to TOXISETL.
Chemical settling into or out of a com-
partment. Chemical can only settle
when adsorbed to sediment. These
variables are transferred to TOXIWASPD
to hold the values until the next call
to TOXISETL.
Sediment concentration in water compart-
ment above bed.
Mass of dissolved chemical in the pore
water squeezed from the surface bed
segment to the water column during the
compaction cycle.
UNITS
ft/sec
mgs/LT


kg/iv

unitless

MCFw/day
.mgs/Lj,
mgs/Lij,-
day

mgc/Lj,-
day



kg/L-r
MCF.
mgc/Lw
305

-------
 VARIABLE
FOUND IN
SUBROUTINE
             DEFINITION
 UNITS
SOLG
 TOXIVOLT
SOLL
SVOL
 TOXIVOLT
 TOXISETL
TCELG,TKEL
TCOUNT
TDINT
TEMPM(J)
 TOXIWASPB
 TOXIPORD
 TOXIVOLT
 TOXINIT
 TOXIDUMP
 TOXIWASPB
 TOXIDUMP

 TOXIWASPB
Aqueous solubility of toxicant chemical
  species.  If the corresponding value
  in ESOLG (c.f.) is zero, SOLG is
  interpreted as an aqueous solubility
  in mg/liter.  if ESOLG is non-zero,
  SOLG is used in an equation describing
  the molar solubility of the toxicant
  species as a function of environmental
  temperature (TCELG), i.e., SOLL(mg/l)
  = 1000.*MWTG*1 0.**J( SOLG-(1 000.*ESOLG/
  (2.303*R*(TCELG+273.15)))).   Solu-
  bilities are used (inter alia) to
  limit the permissible external load-
  ings of the toxicant on the system to
  values that generate final residual
  concentrations .LE. 50% of aqueous
  solubility (or 1.E-5M).  This con-
  straint is imposed in order to help
  ensure that the assumption of linear
  sorption isotherms is not seriously
  violated.

Temperature-corrected aqueous solubili-
  ty of chemical.

Volume of pore water squeezed from the
  surface bed segment to the water
  column during the compaction cycle.
SVOL is the difference in volume between
the surface bed segment before compac-
tion and the top two bed segments after
compaction.

Product of segment temperature TEMPM(J)
  and temperature function TEMPN.
  Immediately converted to Kelvin
  temperature (TKEL) from Celsius.

Number of entries into auxiliary file
  for statistical analysis,  stored
  in COMMON as constant 73.

Time interval between recalculation of
  decay rates.

Average temperature for compartment.
                                                                 m
 g/Lj,
                                                                 unitless
million
ft3
                                                                 °C
                                                                 unitless
day
                                    306

-------
VARIABLE
TEMPN


TIMCHK



TMARK


TMASS














TMPM



TOTKG(J)




TOTKL


TQ



FOUND IN
SUBROUTINE
TOXIWASPB


TOXIWASPB
TOXINIT


TOXIWASPB
TOXINIT

TOXISETL














TOXIWASPB
TOXINIT


TOXIWASPB
TOXINIT



TOXIWASPB
TOXIFORD
TOXIDUMP
TOXIWASPB



DEFINITION
Value of normalized time function de-
scribing temperature. Multiples
TEMPM to give TCELG.
Day on which last set of daily flows and
nonpoint source loads were read from
auxiliary file. Saved in COMMON as
constant 82.
Day on which rate constants will be
recalculated, incremented throughout
simulation by TDINT.
Mass of chemical transferred to the next
lower bed segment during the compac-
tion cycle. TMASS is first set to the
mass of chemical in the top bed layer
that is compacted into the new second
bed layer (FVOL*CHEM). Once the new
concentration of the second bed layer
is determined, TMASS is set to the
mass of chemical in the second bed
layer that is buried into the new
third bed layer. This is continued
to the bottom bed segment, where
TMASS is added to BMASS( J) , the amount
of chemical mass lost from the network
by burial below segment J.
Temporarily held value of TMASS, the
amount of chemical transferred to
the next lower bed segment during the
compaction cycle.
Total first order decay rates calcu-
lated externally. If equal to zero,
the program evaluates all separate
processes and calculates a combined
total first order decay rate, TOTKL.
Value of total first-order decay rate
for compartment, derived from TOTKG
(J).
Temporary value for flow or exchange
between two segments, used for maxi-
mizing time step to minimize numerical
dispersion and simulation cost.
UNITS
unitless


day



day


MCF.
mgc/Lrj,













MCF.
mgc/Lrp


day-1




day-1


ft3/day



307

-------
VARIABLE
TRT


TYPEE(J)





TYP1 ,TYP2


V1,V2, ...,
V8
VAPRG



VAPRL

VELOC(J)

VOL

VOLKL


VVOL(J)


WAT
WATFL



FOUND IN
SUBROUTINE
TOXIWASP


TOXIWASPB
TOXINIT
TOXIFORD
TOXIPHOT
TOXISETL
TOXISEEW
TOXISEDW


TOXIWASPB
TOXIDUMP
TOXIVOLT



TOXIVOLT

TOXIWASPB
TOXINIT
TOXIWASPB

TOXIDUMP
TOXIFORD

TOXIWASPB
TOXIFORD
TOXISETL
TOXIVOLT
TOXISEDW



DEFINITION
Test value of time step that would eli-
minate numerical dispersion in a seg-
ment.
Numerical code designating segment types
used to define ecosystem. Available
types: 1 = Epilimnion, 2 = Hypo-
limnion, 3 = Benthic (active) , and
4 = Benthic (buried) .

Internal variables describing type
(e.g., TYP1 - TYPEE(H)) of inter-
changing compartments.
Dummy variables used in argument of
calls to TOXIDU.
Vapor pressure of compound, used to
compute Henry's Law constant if the
latter input datum (HENRYG) is zero,
but VAPRG is non-zero.
VAPRL is the converted value to
atmospheres.
Average velocity of water in the com-
partment.
Equal to BVOL( J) , the volume of the
compartment.
Pseudo-first-order rate constants for
volatilization losses from surface
water compartments.
A dummy array to hold parameters
describing the varying surface bed
segment volume.
Piston velocity term for water vapor.
Dispersive exchange of water between top
bed segment and water column, or
between two vertically adjacent bed
segments.
UNITS
days


unitless





unitless


unitless

torr, or
mm Hg




ft/sec

million
ft3
hr-1


unitless


unitless
ft3/day



308

-------
VARIABLE
WIND



WINDG(J)





WINDN

WS(J)









XJSTR









XMASS
XXX
XTES

XTST



POUND IN
SUBROUTINE
TOXIWASPB
TOXIVOLT


TOXIWASPB





TOXIWASPB

TOXISETL









TOXIWASPB
TOXINIT
TOXIDUMP







TOXIDUMP
TOXIPHOT
TOXIPHOT

TOXINIT
TOXIDUMP


DEFINITION
Local, time-varying wind speed. Equal
to the average wind velocity over a
segment WINDG(J) times the time func-
tion WINDN.
Average wind velocity at a reference
height of 1 0 cm above the water sur-
face. Parameter is used to compute a
piston velocity for water vapor (Liss
1973, Deep-Sea Research 20:221) in
subroutine VOL AT.
Normalized wind speed as function of
time.
Spatially variable parameter denoting
settling rate of suspended sediment
in water column segments (types 1 and
2) , erosion rate of surface bed sedi-
ment in surface bed segment (type 3),
or percolation of pore water through
subsurface bed segments (type 4).
Segment types 1,2: meters per day
Segment type 3: cm per year
Segment type 4: cubic feet/sec
Reference segment for triggering event
and frequency output. A value of zero
will disable it. A non-zero value
will cause printout of all segment
concentrations when the concentration
at XJTR is greater than CTRIG. Also,
a time history of concentrations
(every 3 hours) at XJTR and its
associated benthic segment will be
stored for later frequency analysis.
Mass of chemical in segment.
Exponential light disappearance term.
Maximum light disappearance term. After
this value (87.4) no light is present.
Test variable to determine whether to
set up event-triggered printout. If
either CTRIG or JTR is zero, then
event- triggered printout is disabled.
UNITS
m/sec



m/sec





unitless











unitless









kg
unitless
unitless

unitless



309

-------
                                  SECTION 3

                          WASP3 PROGRAMMER'S MANUAL
3.1  OVERVIEW

     This section is designed to supply information to familiarize the user
with the programming aspects of the models.   This section should facili-
tate making any desired modifications to the model and linking user defined
kinetic subroutines.
3.2  THE HYDRODYNAMIC MODEL


3.2.1  Hardware and Software Requirements

3.2.1.1  Minimum Operational System—

     PC Requirements—The execution of DYNHYD3 on a personal computer
requires the following environment:

     Storage Requirements:

          Random Access Memory - 256K bytes

          Diskette Drive - Required for installation only

          Hard Disk Drive - 5 megabyte or larger

          Installation Size - Approximately 440K bytes

          DOS Version - 2.12 or higher

          Numerical Coprocessor - 8087 or 80287 required

          Dot Matrix Printer - 132 column capability.

     Although the program is small enough to run on a single floppy drive,
DYNHYD3 uses a scratch file that requires more space than afforded by a
floppy disk.
                                    310

-------
     VAX requirements—Since the development and improvement of DYNHYD3 have
been processed on a Digital Computer, the program requirements will be dis-
cussed for a VAX 11/785 only,  in addition, DYNHYD3 requires the use of
approximately 10,000 blocks of hard storage, which increases proportionally
with the length of simulation and number of time steps.  This large disk
usage can be attributed to a scratch file containing preliminary and final
calculations of the simulation.
3.2.1.2  Development System—

     The DYNHYD3 program was ported to the personal computer environment
using the following software development tools.

     Language:  FORTRAN 77

     Operating System:  PC DOS 3.1

     Compiler:  IBM Professional FORTRAN (PROFORT) V1.0

     Linkage Editor:  IBM Professional FORTRAN (LINK)  V2.3

The selection of IBM's Professional FORTRAN (PROFORT)  was due to its close
adherence to the ANSI FORTRAN Standards.  These standards allow for a pure
transportable code for other machines and compilers.


3.2.2  Installation and Implementation

3.2.2.1  Personal Computer--

     Installation of DYNHYD3 onto a personal computer requires the following
steps:

Description                                            Command

1. Set the default drive to the hard disk              n:
   (e.g., hard disk "n"):

2. Create a DYNHYD3 sub-directory:                     MKDIR DYNHYD3

3. Change default directory:                           CD/DYNHYD3

4. Transfer files from diskette (e.g., drive "m")       COPYm:*.* n:*.* /V
   to the hard disk with verification of copy.

5. Verify copy by listing directory contents:           DIR
The following is a brief description of all files contained on the  distri-
bution diskettes.
                                    311

-------
README. 1ST

DYNHYD3.POR


DHYD.COM


DYNHYD3.EXE

COMPLINK.BAT


DYNHYD.BAT
COEF2.INP
COEF2 .OUT
Document containing the following list.

The FORTRAN source code file for the DYNHYD3
program.

The COMMON block source code included in the main
source code by the FORTRAN INCLUDE statement.

The executable task image.

A batch command file that compiles and link edits
the DYNHYD3 program.

A batch command file that executes DYNHYD3.  To
execute, type:  DYNHYD3 "file name" where "file
name" is the name of the input data set (ex.
DYNHYD3 COEF2.INP).

A data set that may be used as input for the
DYNHYD3 model for testing the installation of
the DYNHYD3 system.  COEF2.INP is a simple
hydrodynamic estuary for a 13 segment network.

A sample output file created by running the input
data set, COEF2.INP.  Comparison of the created
DYNHYD3.OUT to COEF2.OUT will demonstrate the
model's working order.

An input and output data set that provides an
linkage example of DYNHYD3 to WASP3V2.

An input data set for EUTRWASP.  This data set
requires the hydrodynamic input of SUMRY2.OUT
which is created by DYNHYD3 and COEF2.INP.

**Note**

Linkage requires the following switches:

-COEF2.INP must have a "2" in column five of the
SUMMARY CONTROL DATA card group.  (This modification
has been included.)
                         -CANAL.INP must have a "5" in line one, column
                         five of card group D.  This indicates to WASP3V2
                         to read volumes and flows from a previously
                         created file (by DYNHYD3) called SUMRY2.OUT.

     The executable task image DYNHYD3.EXE for the IBM PC and compatible
systems has been included on distribution diskettes.  The IBM Professional
FORTRAN compiler and linkage editor (PROFORT and LINK) are not required
to run the DYNHYD3 program.  If any modification of the FORTRAN source

                                    312
CANAL.INP
CANAL.OUT

CANAL.INP

-------
code is desired, however, then both of these software development tools
will be required.
3.2.2.2  VAX—

     See Section 3.3.2 (WASP installation procedures).


3.2.3  Description of VAX Command Files

Description:

     DYNCOMP.COM - This command file compiles , links and executes the
                   DYNHYD3 program.  The command procedure selects the
                   appropriate source code and common blocks needed to
                   build the DYNHYD3 task image.  To run this program on
                   the VAX, type:

                              @DYNCOMP INPUTFILE.NAME

                   where "INPUTFILE.NAME" is the input data file.

Listing;

? •
$!*        THIS COMMAND FILE WILL WORK ON A VAX SYSTEM UNDER VMS       *
$! *                                                                    *
$!*         Command file to compile, link and execute DYNHYD3          *
$!*      To use this command file type:                                *
$! *                                                                    *
$!*                    @DYNCOMPILE INPUTFILE.NAME                      *
$! *                                                                    *
$!*      Where INPUTFILE.NAME is the file in which you would like      *
$!*      to have executed by DYNHYD3.  This follows the standard       *
$!*      parameter statement described by the VMS manual.  To submit   *
$!*      a batch job type:                                             *
$!*                                                                    *
$!*            SUB/PARA=(INPUTFILE.NAME) DYNCOMP                       *
$!*                                                                    *
V •
$!
^i                                   ***********************************
$ SET DEF [EXAMPLE.WASP]! <	* Change default to appropriate   *
$!                                   * directory                       *
«i                                   ***********************************
$ DEFINE/USER_MODE  INFILE 'P1 '
$!
$ COPY INFILE DYNHYD3.INP!  INFILE IS EQUAL TO THE INPUT FILE
$!                           DEFINED TO RUN TEST CASE
$ FO DYNHYD3
$!

                                    313

-------
$1
$ LINK DYNHYD3
$!
$ DEL DYNHYD3.0BJ;*
$!
$!
$ RUN DYNHYD3
$!
$ PRINT DYNHYD3.OUT
$!
$ PURGE RESTART .OUT
$ PURGE DYNHYD3.0UT
$ PURGE SUMRY2.OUT*
$ PURGE *.LIS
$ DEL DYNHYD3.INP;*
$ DEL SCRATCH.TMP;*

Description;

     DYNRUN.COM - This  command file executes the DYNHYD3 task
                  image with  any  user  supplied input data stream.
                  To use DYNRUN.COM type:

                              @DYNRUN INPUTFILE.NAME

Listing:

V •
$!*        THIS COMMAND FILE  WILL WORK ON A VAX SYSTEM UNDER VMS       *
$!*                                                                     *
$! *                 Command file  to execute DYNHYD3                    *
$!*                To use  this command file type:                       *
$] *                                                                     *
$!*                     @DYNRUN INPUTFILE.NAME                          *
$! *                                                                     *
$!*      Where INPUTFILE.NAME is  the file to be executed by            *
$!*      DYNHYD3.  This follows the standard parameter statement       *
$!*      described by the  VMS manual.  To submit a batch job to        *
$!*      do the same thing type:                                        *
$! *                                                                     *
$1*            SUB/PARA=(INPUTFILE.NAME) DYNRUN                        *
$!*                                                                     *

$!
S j                                   ***********************************
$ SET DBF  [EXAMPLE.WASP]!  <	*  Change default to appropriate   *
$!                                   *  directory                       *
§i                                   ***********************************
$ DEFINE/USER_MODE  INFILE 'P11
'$ COPY INFILE DYNHYD3.INP!
$!
$ RUN DYNHYD3

                                     314

-------
$1
$ PRINT DYNHYD3.OUT
$!
$ PURGE RESTART.OUT
$ PURGE DYNHYD3.0UT
$ DEL DYNHYD3.INP;*
$ DEL SCRATCH.TMP;*
3.2.4  Description of Computer Program

3.2.4.1  Overview of Systems—

     Figure 52 is a flow chart of DYNHYD3 illustrating the functional
relationships among the subroutines.  The main program opens files, calls
DYNHYD, closes files, and calls the post-processor subroutines that create
the saved output files.  Subroutine DYNHYD accomplishes the data input simu-
lation, and printed output, with assistance from SEAWRD, REGAN, WIND, and
RUNKUT.
      INPUT
       -SEAWRD


         REGAN

       -WIND
                              DHYDMAIN
                    	DHYD.COM
                    DYNHYD
                  SIMULATION
                                     OUTPUT
-RUNKUT

-WIND
                                   OUTPUT PILES
-RESTRT

-SUMRY1
  I
  MEAN

-SUMRY2
  I
  MEAN
     Figure 52.  DYNHYD3 flow chart.
                                    315

-------
                        DYNHYD3 INPUT/OUTPUT UNITS

     All the input/output units used in DYNHYD3 are controlled by definable
variables.  These variables are in the global common block DHYD.COM and can
easily be reassigned.  The individual units are listed below with their
default integer values.  A brief description is provided to illustrate  how
the units are used within the program.

     ICRD:  User must specify 5 or 8.  File 5 refers to the input data  set
DYNHYD3.INP.  An 8 denotes the input data stream is in File 8.  File 8  is
created from File 9 and contains a snapshot of the final conditions from the
previous run (created by the subroutine RSTRT).  Files 5 and 8 are formatted
sequential files.  Example:  READ(ICRD).

     IN:  Default value is 5.  The value 5 denotes the input data stream is
in DYNHYD3.INP.  The input data stream is a formatted sequential file.
Example:  READ(IN).

     MESS:  Default value is 6.  Mess has been implemented mainly for the
personal computer but may be of some benefit for the main frame user as
well.  MESS allows runtime status messages to be displayed on the screen,
and allows the user to track where in the simulation program execution  is
occurring.  Please note that MESS must always be assigned unit 6 or it
will not default the messages to the screen but to a FOROOO.DAT file.
File 6 is a formatted sequential file.  Example:  WRITfi(MESS).

     OUT:  The default value is 1.  File 1 is the output file called
DYNHYD3.0UT.  File 1 is a formatted sequential file.  Example:  WRITE(OUT).

     RSTR:  The default value is 9.  File 9 contains a snapshot (flows  and
volumes) of the final conditions of a run.  File 9 will be converted to File
8, an input stream for the next run.  File 9 is a formatted sequential  file.
Example:  WRITE(RSTR).

     SCR:  The default value is 2.  File 2 is the scratch file processed by
the subroutine SUMRY1 (or 2).  File 2 is an unformatted sequential file.
Example:  READ and WRITE(SCR).

     SUMY:  The default value is 4.  File 4 is the SUMRY file containing
flows and volumes used by the water quality model.  File 4 is a formatted
or unformatted sequential file.  Example:  WRITE(SUMY).
3.2.4.2  Common Block—

     DYNHYD3 has a common block transferred between subroutines.  This common
block consists of nine sections that are grouped according to subject matter.
The following is a listing of the common block,  plus the variables associated
with each section:
                                    316

-------
     COMMON /CHAN/ AK(CH), AREA(CH), AREAT(CH), B(CH), CLEN(CH),
    *              CN(CH), NJUNC(CH,2), Q(CH), R(CH), V(CH),
    *              VT(CH),CDIR(CH)
     COMMON /JUNG/ JPRT(JU), NCHAN(JU,5), SURF(JU), VOL(JU),
    *              Y(JU), YT(JU), QIN(JU),BELEV(JU)
     COMMON /VFLO/JRVF(VF), NINCR(MQ), NQ(MQ), NVFLOW, QCYC(VF,MQ),
                   VFLOW(VF,MQ), VQIN(JU), VQ(VF,JU)
     COMMON /CFLO/ CQIN( JU) , NCFLOW, JRCF(CF), CFLOW(CF)
     COMMON /SEA/  A1(SB,7), PERIOD(SB), NS, NK, NSEA, NINL, RANGE(SB),
    *              BTIME(SB,TC2), BHEAD(SB,TC2), NTV(SB), NHCYC(SB),
    *              DTIME(SB) ,TREP(SB) ,TSTART(SB)
     COMMON /TIME/ DELT, DT, DT2, T, T2, TEND, TZERO, TTIME(SB)
     COMMON /MISC/ ALPHA(BO), G, ICYC, NJ, NC, NCYC, W(SB), MOM(CH),
    *              FRIC(CH), GRAV(CH), WIN(CH)
     COMMON /FILE/ SUMRY,ITAPE,LTAPE,ICRD,NODYN
     COMMON /WIND/ WINDS(MQ), WDIR(MQ), NOBSW, IW, WTIM(MQ), FW(CH),
    *              IREADW, WSLOPS, WSLOPA, TREPW, DTIMW

     The COMMON "CHAN" refers to all variables associated with  channels.
The "COMMON "JUNG" refers to all variables associated with  junctions.  The
COMMON "VFLO" refers to all variables  associated with variable  inflows.  The
COMMON "CFLO" refers to all variables associated with constant  inflows.  The
COMMON "SEA" refers to all variables associated with seaward boundaries.  The
COMMON "TIME" refers to all variables associated with the time  step.  The
COMMON "MISC" is a collection of miscellaneous variables.   The  COMMON "FILE"
refers to input/output fields.  The COMMON "WIND" refers to all variables
associated with the wind.

     In each common, the dimensions of a variable are defined by parameters.
The value of these parameters are also defined in a common  block called
"DHYD.COM."  The separation of these parameters allows easy alterations.
The following is a list of parameter definitions.

     JU   =    number of junctions

     CH   =    number of channels

     VF   =    number of variable inflows

     CF   =    number of constant inflows

     ND   =    number of time steps per quality time steps

     MQ   =    maximum number of flow or wind values in time function

     NR   =    ND + 1

     SB   =    number of seaward boundaries

     TC   =    maximum number of tidal cycles.
                                    317

-------
3.2.4.3  Subroutine Descriptions—

     The following is a brief explanation of each subroutine function
contained in DYNHYD3:

DHYDMAIN

     The DHYDMAIN subroutine is the control module.  It assigns input and
output unit numbers, and operates the calling sequence for the input,
simulation, and output subroutines.

DYNHYD

     DYNHYD reads the majority of the input data:  program description cards
(Data Group A), program control data (A), output control data (B), hydraulic
summary data (C), junction data (D), channel data (E), and inflow data (F).
Subroutines WIND and SEAWRD are called to read the observed wind conditions,
and seaward boundary data, respectively.  DYNHYD calls the simulation (pro-
cessing) subroutines:  WIND and RUNKUT for each time step.  Information is
printed and the following values are initialized: constants, junction volumes,
the scratch file, counters, and variables.

SEAWRD

     SEAWRD has three options for reading the observed seaward boundary data.
The first option reads the regression coefficients directly for the average
tide.  The second option calls REGAN to compute the average tide regression
coefficients from average observed tidal heights versus time.  The third
option reads variable (highs and lows) observed tidal heights versus time and
fits a repetitive one-half sine wave to the data points.

WIND

     WIND has two sections.  The first section, entered only once at the
beginning of the simulation, reads in wind speed and direction versus time
and sets up two piecewise linear functions of time.  The second section
updates the wind speed and direction by linear interpolation and calculates
the wind accelerational force.

REGAN

     REGAN, called by SEAWRD, performs a least squares fit to the observed
seaward boundary data to describe an equation of the form:

          Y(T) = A1 + A2 sin(u)t) + A3 sin(2cjt) + A4 sin(3u>t) +

                 A5 cos(o)t) + A6 cos(2ojt) + A7 cos(3o>t)

by solving normal equations.
                                     318

-------
RUNKUT

     RUNKOT solves the equations of continuity and momentum using a modified
Runge-Kutta technique.  Channel velocity, channel flow, junction heads,
junction volumes, and channel cross-section are computed for every half time
step and every full time step.  RUNKUT also checks stability of the system
and exits program if the channel velocity exceeds 20 ft/sec.

RESTRT

     As a start-up for the next run, RESTRT produces a snapshot of the cur-
rent run's final conditions.  At the end of the simulation, the title, vari-
able trstrt, variable nrstrt, junction information (number, head, surface
area, flow, and connecting channels) , and channel information (number, length,
width, surface area, Manning roughness coefficient, velocity, and hydraulic
radius) are written to file RSTR.

SUMRY1 and SUMRY2

     SUMRY1 and SUMRY2 summarize and save a record of the hydraulic conditions.
Hydraulic parameters are saved with a frequency dependent on the lengths of
the hydraulic time step and the time step used in the water quality model
accessing the stored hydraulic data.  The parameters stored for use by the
quality model (see Figure 53) are junction volumes and inflows, channel
flows, velocities, and depths.  SUMRY1 creates an unformatted file and SUMRY2
creates a formatted file.  For averaging flows, velocities and depths SUMRY
calls MEAN.

MEAN

     MEAN computes the average junction volumes and inflows, channel flows,
velocities, and depths over a time step (DELTQ) equal to the hydraulic time
step (DELT) times the water quality time step (NODYN) divided by 3600 seconds:
DELTQ = DELT * NODYN/3600.  MEAN is capable of three averaging options:
Simpson's transformation, trapezoidal transformation, and straight transfor-
mations.  At the present, MEAN is hardwired to use the trapezoidal transfor-
mation.
3.3  THE BASIC WATER QUALITY MODEL

3.2.1  Hardware and Software Requirements

3.3.1.1  Minimum Operational System—


                      Personal Computer Requirements

     The size and structure of the WASP program require the following
personal computer environment:
                                     319

-------
A
B
C
D
E
•
F
G

F
G

                                  ITAPE
ITAPE + NODYN
LTAPE
        A) ALPHA(1-40). NJ, NC. DELT, ITAPE. LTAPE, SUMRY. NODYN
           (CLEN(N), B(N). CN(N)(NJUNC(N.I) 1=1,2) N=1,NC)
           Title, Network Size, Time Interval, Beginning Cycle. End Cycle,
           Tape Format, Number Hydraulic Time Steps per Qualtiy Time Step,
           Length of Channel. Vidth of Channel. Lower or Higher Junction Designator

        B) ((SURF(J), NCHAN(J.K) K=1.5) J=1.NJ)
           Surface Area of Junction, Channel Number Entering Junction

        C) NCFLOW (JRCF(I). CFLOT(I) I=1,NCFLOW)
           Number of Constant Flow Inputs, Junction Receiving Constant Flow,
           Constant Inflow + or —

        D) NVFLOW (JRVF(I). NINCR(I) I=1.NVFLOW)
           Number of Variable Flows, Number of Increments in Variable Flow

        E) (QCYC(I.K) (VFLOW(I.K) K=1.NI) 1=1.NVFLOW)
           Hydrodynamic Cycle (Time Step), Flow value for Variable Flow

        F) CYCLE, (VOL(J), QINSAV(J) J=1,NJ)
           Hydrodynamic Cycle, Volume of  Junction, Inflow into Junction

        G) (QSAVE(N). VSAVE(N). RSAVE(N) N=1.NC)
           Average Flow, Average Velocity, Average Hydraulic Radius


    Figure 53.   Summary tape description.
           - 640 kilobyte Random Access  Memory  (RAM)
           - 360 kilobyte diskette drive
           - 5/10/20 megabyte hard disk  drive
           - 8087  math coprocessor
           - DOS version 2.12 or higher
           - dot matrix printer with 132 column capability

These  requirements refer to the distribution versions.  Depending upon the
user's  specific simulation, the variables may need redimensioning,  thus
increasing the Random Access Memory (RAM) requirements.


         VAX 11/785 Requirements

     The VAX requires a minimum of 4000 blocks of disk space to build and
execute the program.
                                       320

-------
3.3.1.2  Development System for the Personal Computer—

     The WASP system of programs were ported to the personal computer
environment using the following software development tools:

          Language:           FORTRAN 77

          Operating System:   PC DOS 3.1

          Compiler:           IBM Professional FORTRAN (PROPORT) vl.O

          Linkage Editor:     Phoenix Software Associates, LTD
                              (PLINK86) v1.47

The selection of IBM's Professional FORTRAN (PROFORT) was due to its
adherence to the ANSI Fortran Standards.  The source code for the VAX
11/785 is exactly the same as the personal computer code.

     Phoenix Software's PLINK86 was chosen because of its ability to
overlay both code and data.


3.3.2  Installation and Implementation

       Personal Computers;

     Installation of the WASP system onto a personal computer requires the
following steps:

     Description                                  Command

     Set the default drive to the hard disk       n:
     (e.g., hard disk "n"):

     Create a WASP3P directory:                   MKDIR WASP3P

     Request verification of copy:                VERIFY ON

     Change default directory:                    CD/WASP3P

     Transfer files from diskette (e.g.,          RESTORE m: n:
     drive "m") to the hard disk:

     Remove verification:                         VERIFY OFF

     Verify directory contents:                   DIR
To test the execution of the program, test data sets have been supplied
with corresponding outputs for comparisons.
                                     321

-------
     The following is a brief description of all files contained on the
distribution diskettes:
     README.1ST

     COMPLINK.BAT



     TOXIWASP.BAT
     EUTRWASP.BAT
Document containing the following list.

A batch command file to compile and link edit either
the toxics or eutrophication WASP source code.  See
program for documentation.

A batch command file that executes TOXIWASP.  To
execute, type:  TOXIWASP "file name" where "file
name" is the name of an input data set (ex.
TOXIWASP POND.INP).

A batch command file that executes EUTRWASP.  To
execute, type: EUTRWASP "file name" where "file
name" is the name of an input data set (ex: EUTRWASP
2DLAKE.INP).
     TOXIWSP3.LNK
     EUTRWSP3.LNK
     POND .OUT
     2DLAKE .OUT
These are link edit command files used by the
PLINK86 linkage editor in COMPLINK.BAT.
These are sample output files for TOXIWASP and
EUTRWASP test runs using POND.INP and 2DLAKE.INP,
respectively.  Compare these to WASP.OUT after
executing the appropriate version of the model.
     POND.INP
     2DLAKE.INP
     WASP3V2.POR
     TOXIWASB.POR
     EU03WASP.POR
     TOXIWSP3.CMN
     EU03WSP3.CMN
Data sets that may be used as input for the
TOXIWASP and EUTRWASP models to test the
installation of the WASP system.  POND.INP is a
simple pond and sediment system in which toxic
degradation and mobility are simulated.  2DLAKE.INP
simulates eutrophication attributes in a stratified
lake system.

The FORTRAN source code for the WASP driver
program.  This program solves the mass balance
equation and controls the time step function.

The kinetic subroutine linked with WASP3V2.POR
to simulate organic toxics.

The kinetic subroutine linked with WASP3V2.POR
to simulate eutrophication attributes.
See note below.
                                    322

-------
     **NOTE**:
     EU03WSPB.CMN
     TOXIWSPB .CMN
     TOXIWSP3.EXE
     EUTKWSP3.EXE
If the user selects to compile and link edit
WASP3V2 without using the batch command file
COMPLINK.BAT as described above, then he will be
required to either:

- Copy TOXIWSP3.CMN to WSPCMN.F4P before compiling
  WASP for organic toxics, or

- Copy EU03WSP3.CMN to WSPCMN.F4P before compiling
  WASP for eutrophication simulation.

This is required due to the different FORTRAN
common blocks for EUTRWASP and TOXIWASP.  This
step is needed when compiling WASP without using
the batch command file COMPLINK.BAT.  Using the
command file, editing is required to select the
appropriate common block to be copied for each
compile and link edit (see COMPLINK.BAT for
further detail).
The common blocks that are required by the
kinetic subroutines (EU03WASP.FOR and TOXIWASB.FOR)
The executable task image codes.
        VAX INSTALLATION;

     Installation of the WASP model onto the VAX system requires the
following steps:
     Description

     Mount the tape

     Set default to desired
     directory

     Copy contents

     Check to see if files
     were copies
     Dismount the tape

     TOXICOMP.COM
          Command

          MOU/NOASSIST/OVERRIDE=OWNER MSA0:WASP32


          Set Def DBA0:[xxx.yyy]

          Copy MSA0:*.*;* DBA0:[xxx.yyy]


          DIR

          Dismount MSAO:
This command file compiles, links and executes
the TOXIWASP program.  This procedure will select
the appropriate source code and common blocks
needed to build the TOXICS task image.  To run
this program on the VAX type:

           323

-------
                                   0TOXICOMP INPUTFILE.NAME

                         where INPUTFILE.NAME is the input data file.


$!*        THIS COMMAND FILE WILL WORK ON A VAX SYSTEM UNDER VMS        *
$! *                                                                     *
$!*        Command file to compile, link and execute TOXIWASP           *
$!*                To use this command file type:                       *
$!*                                                                     *
$1*                    0TCOMPILE INPUTFILE.NAME                         *
$!*                                                                     *
$!*      Where INPUTFILE.NAME is the file to be executed by DYNHYD3.    *
$!*      This follows the standard parameter statement described by     *
$!*      the VMS manual.  To submit a batch job type:                   *
$!*                                                                     *
$!*            SUB/PARA=(INPUTFILE.NAME) TOXICOMP                       *
$!*                                                                     *
$!
$!
$ SET DBF [EXAMPLE.WASPj! <	* Change Default to Appropriate   *
$!                                  * Directory                       *

$ DEL WSPCMN.F4P;*
$!
$ DEL TOXI.FOR;*
$ CREATE TOXI.FOR
$!
$ COPY TOXIWSP3.CMN WSPCMN.F4P
$1
$ DEFINE/USER_MODE  INFILE 'P1'
$!
$ COPY INFILE WASP.INP
$!
$ APPEND WASP3V2.FOR TOXI.FOR
$ APPEND TOXIWASB.FOR TOXI.FOR
$!
$ FO TOXI.FOR
$!
$ LINK TOXI
$!
$ DEL TOXI.OBJ;*

For file description see personal computer installation and implementation
Section 3.2.2.
3.3.3  Description of VAX Command Files

     The following is a description and listing of each command file  that
compiles and link edits on the VAX 11/785 under VMS.

                                     324

-------
     TOXIRUN.GOM    -    This command procedure will execute  the TOXICS
                         task image with a supplied input data stream.
                         To use TOXIRUN.COM type:

                                   @TOXIRUN INPUT FILE. NAME

V *
$!*        THIS COMMAND PILE WILL WORK ON A VAX SYSTEM UNDER  VMS       *
$!*                                                                    *
$1*                 Command file to execute TOXIWASP                   *
$!*                  To use this command file type:                    *
$!*                                                                    *
$!*                       @TRUN INPUTFILE.NAME                         *
$!*                                                                    *
$!*      Where INPUTFILE.NAME is the file to be executed by DYNHYD3.   *
$1*      This follows the standard parameter statement described by    *
$!*      the VMS manual.  To submit a batch job type:                  *
$!*                                                                    *
$!*            SUB/PARA=( INPUTFILE.NAME) TOXIRUN                       *
$!*                                                                    *

$!
$ SET DBF [EXAMPLE.WASP] ! < --------- * Change Default to Appropriate   *
$!                                  * Directory                       *
§i                                  ***********************************
$ DEFINE/USER_MODE  INFILE 'P1'
$ COPY INFILE WASP.INP
$!
$ RUN TOXI
$!
$ PRINT WASP. OUT
$!
$ PURGE RESTART .OUT
$ PURGE WASP .OUT
$ DEL WASP.INP;*
$ DEL FREQ.TMP;*
$!
$ DEL TOXI. FOR;*
$!
$ RUN TOXI
$!
$!
$ PURGE RESTART .OUT
$ PURGE WASP .OUT
$ DEL WASP.INP;*
                                    325

-------
     EUTRORUN.COM   -    This command procedure executes  the EUTRO  task
                         image with any supplied input data stream.
                         To use EUTRORUN.COM type:

                                   ©EUTRORUN INPUTFILE.NAME

S* •
$1*        THIS COMMAND FILE WILL WORK ON A VAX SYSTEM UNDER VMS        *
$!*                                                                     *
$!*                Command file to execute EUTRO.                       *
$1 *                To use this command file type:                       *
$!*                                                                     *
$!*                    @ERUN INPUTFILE.NAME                             *
§!*                                                                     *
$!*      Where INPUTFILE.NAME is the file to be executed  by EUTRO.EXE.  *
$!*      This follows the standard parameter statement described by     *
$!*      the VMS manual.  To submit a batch job type:                   *
$!*                                                                     *
$!*            SUB/PARA=(INPUTFILE.NAME) EUTRORUN                       *
$! *                                                                     *
?!
$!
£|                                   ***********************************
$ SET DEF [EXAMPLE.WASP]! <	* Change Default to Appropriate   *
$!                                   * Directory                       *
« I                                   ***********************************
$ DEFINE/USER_MODE   INFILE 'P'
$ COPY INFILE WASP.INP
$!
$ RUN EUTRO
$!
$ PRINT WASP.OUT
$ PURGE RESTART.OUT
$ PURGE WASP.OUT
$ DEL WASP.INP;*
$ DEL FREQ.TMP;*

     EUTROCOMP.COM  -    This command file compiles, links and  executes the
                         EUTROWASP program.  This procedure will select the
                         appropriate source code and common blocks  needed to
                         build the EUTRO task image.  To  run this program on
                         the VAX type:

                                   ©EUTROCOMP INPUTFILE.NAME
                                    326

-------
$!
$!*        THIS COMMAND  FILE WILL WORK ON A VAX SYSTEM UNDER VMS       *
$1*
$!*        Command file  to compile,  link and execute EUTRWASP          *
$!*                To use  this  command file type:                       *
$! *                                                                     *
$!*                    0ECOMPILE INPUTFILE.NAME                        *
$1*                                                                     *
$!*      Where INPUTFILE.NAME is the file to be executed by EUTRWASP.  *
$!*      This follows the standard parameter statement described by    *
$!*      the VMS manual.  To submit  a batch job type:                  *
$!*                                                                     *
$!*            SUB/PARA=(INPUTFILE.NAME) EUTROCOMP                     *
$!*                                                                     *
$!
$!
gi                                   ***********************************
$ SET DBF  [EXAMPLE.WASP]!  <	* Change Default to Appropriate   *
$!                                   * Directory                       *
£1                                   ***********************************
$ DEL WSPCMN . F4P; *
$!
$ DEL EUTRO.FOR;*
$ CREATE EUTRO.FOR
$!
$ COPY EU03WSP3.CMN WSPCMN.F4P
$!
$ DEFINE/USER_MODE  INFILE 'P11
$!
$ COPY INFILE WASP.INP
$!
$ APPEND WASP3V2.FOR EUTRO.FOR
$ APPEND EU03WASP.FOR EUTRO.FOR
$!
$ FO EUTRO.FOR
$!
$ LINK EUTRO
$!
$ DEL EUTRO.OBJ;*
$1
$!
$ RUN EUTRO
$!
$!
$ DEL EUTRO.FOR;*
$1
$  PRINT WASP.OUT
$!
$ PURGE RESTART .OUT
$ PURGE WASP .OUT
$ DEL WASP.INP;*
$ DEL FREQ.TMP;*

                                     327

-------
     ******************* *NOTE* *****************

If it is desired to use the above command files in a batch mode simply type:

               SUB/PARA=(IMPUTFILE.NAME)  COMMAND FILE NAME

          EX:  SUB/PARA=(POND.INP) TOXIRUN OR TOXICOMP


3.3.4  Description of Computer Program

3.3.4.1  Overview of System—


                            Input/Output Files

     All the input/output units can be reassigned an integer value in the
WASP MAIN subroutine.  It is suggested that the new user not change the.se
units until he becomes more familiar with the structure and function of the
program.  The following is a brief description of each integer and their
default integer values.

     AUX;  Default value is 4.  AUX refers to the use of an auxiliary flow
file.  This file has been created outside the WASP programs and is used to
input flows and volumes.  Example:  READ(AUX).

     HYDRO;  Default value is 7.  HYDRO is the input data set created by
DYNHYD3 (SUMRY1.OUT or SUMRY2.OUT).  This file contains flows and volumes
calculated by DYNHYD3.  HYDRO is a sequential formatted (SUMRY1.OUT) or
unformatted (SUMRY2.OUT) file.  Example:   READ(HYDRO).

     IN:  Default value is 2.  The value 2 refers to the input data set..
Input data set is a sequential formatted file.  May also be used to
represent the integer 2.  Example:  READ(IN).

     OUT;  Default value is 5.  OUT refers to the output file "WASP.OUT."
OUT may also represent the integer 5.  WASP.OUT is a sequential formatted
file.  Example:  WRITE(OUT).

     RESRT;  Default value is 9.  RESTRT refers to the file containing a
snapshot of final conditions.  This file may then be used as initial
conditions in the next run.  RESTRT is a sequential formatted file.
Example:  WRITE(RESTRT).

     SCRN;  Default value is 6.  Implemented for the benefit of the PC
version, SCRN is designed to give screen messages to user indicating
stage of simulation and execution.  SCRN may be helpful to both the PC
and mainframe user because it can act as a diagnostic file.  SCRN can
illustrate where program termination occurred.  To examine SCRN type of
list "SCREEN.OUT."  "SCREEN.OUT is a sequential formatted file.  Example:
READ(SCRN).
                                    328

-------
     Figure 54 is a flow chart of WASP3 illustrating the functional relation-
ships among the subroutines.  The main program opens files, calls the input,
simulation, and output subroutines, and closes files.  The input subroutines
are called sequentially, as shown.  Subroutine EULER controls the actual
simulation, calling DERIV each time step to recalculate mass derivatives.
The output subroutines are called sequentially as shown after the simulation
is completed.  The utility subroutines can be called by the other subroutines
as needed.
3.3.4.2  Common block

     ****** WASP COMMON BLOCK ******

     The WASP program requires two "include" common blocks that are brought
into the program during compilation of the program.  These common blocks are
the WASP DRIVER common block (WSPCMN.F4P) and the KINETIC subroutine common
block (TOXIWSPB.CMN or EUO3WSPB.CMN).  The WASP DRIVER common block consists
of five distinct groups:  parameters, integers, real numbers, labelled files
and intermediate files.  The parameter statement found at the top of the WASP
DRIVER common block dimensions arrays variables.  The common block included
into the WASP DRIVER program depends on the model:  TOXIWASP or EUTRWASP.
The batch command files that are supplied with the distribution tapes or
diskettes will include the appropriate common block for TOXIWASP or EUTRWASP.
                              COMMON BLOCKS
TOXIWSP3.CMN

EU03WSP3.CMN
See note below.
EU03WSPB.CMN
NOTE:  If the user selects to compile and link edit
WASP3V2 without using the batch command files EUTRO
COMP.COM or TOXICOMP.COM, he must either:

- copy TOXIWSP3.CMN to WSPCMN.F4P when compiling WASP
  for organic toxics, or

- copy EU03WSP3.CMN to WSPCMN.F4P when compiling WASP
  for eutrophication simulation.

The common block used for the Eutrophication kinetic
subroutine.
TOXCMN. F4P
The common block used for the Toxics kinetic subroutine.
     The following is a listing of the three common blocks,
                                    329

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330

-------
C ++++++++++ FILE WSPCMN.F4P ++++++++++
C
C                       COMMON BLOCK FOR THE
C                      IBM PC VERSION OF WASP

C
C     ASSIGN SY=SYSTEMS, SG=SEGMENTS, CS=CONSTANTS,  PR=PARAMETERS
C            BC=BOUNDARY CONG'S, WK=LOADS, TF=TIME  FUNCTIONS
C            MP=MAX PRINT REG'S, MD=MXDMP, MB=MAX NO.  BREAKS  OR TF'S
Q* ***********************************************************************
      INTEGER SY, SG, S2, CX, PR,  BC, WK, TF, MP,MB,MD,MDU,MB1
      INTEGER MV,M30,M50,M70,M72,M73,M75
      PARAMETER (SY=2, SG=80, S2=SG+SG, CX=85, PR=21,  BC=20,  WK=10,
     . TF=6, MP=50, MB=40, MD=8, MDU=MD*SG, MB1=MB+1,  MV=MD*SG*MP,
     . M30=2*BC*SY, M50=2*WK*SY, M70*S2+1, M72=S2+1, M73=2*TF,  M75=2*MB)
C
      REAL      NVOLT,NRT,NOT,NBCT,NWKT,NFUNT,NFT,NTB,NTW
      REAL      MVOL,MR,MQ,MBC,MWK,MFUNC,NPSWK
      INTEGER   IN,HYDRO,AUX,FRQ,RESTRT,SCRN,OUT,SYSBY,RBY,QBY
      LOGICAL*4 ANCHOR
      REAL*8    AIMASS,AOMASS,RIMASS,ROMASS,XLMASS,XKMASS,XBMASS, XMASSO
      REAL*8    CD
Q**********************************************************************V
C          INTEGERS
      COMMON /INTGR/ IN,ICRD,OUT,AUX,RESTRT,HYDRO,SCRN,
               NOSYS,NOSEG,ISYS,ISEG,ISIM,LISTG,LISTC,NPRINT,
               INITB,IPRNT,IDUMP(8,2),IDISK,IREC,MXDMP,IDFRC(1 9),
               NBCPSY,NWKPSY,SYSBY(SY),RBY(SY),QBY(SY),NEGSLN,
               IR(S2),JR(S2),IQ(S2),JQ(S2),IBC(SY,BC),IWK(SY,WK),
               IVOPT,NOV,IROPT,NOR,IQOPT,NOQ,IBCOP(SY),NOBC(SY),
               IWKOP(SY),NOWK(SY),NOPAM,NCONS,NFUNC,
               ITIMR,ITIMV,ITIMQ,ITIMF(TF) ,ITIMB(SY,BC) ,ITIMW(SY,WK) ,
               ITCHCK, MXITER,INPERR,FRQ
C          REALS
      COMMON /REAL/ ANCHOR,T1MB,DT,TZERO,SCALT,TEND,PRNT,OMEGA,
               CD(SY,SG),C(SY,SG),CMAX(20),CMIN(SY),
               PARAM(SG,PR),CONST(CX),
               BVOL(SG),BR(S2),BQ(S2),BBC(SY,BC),BWK(SY,WK),BFUNC(TF),
               MVOL(SG),MR(S2),MQ(S2),MBC(SY,BC),MWK(SY,WK),MFUNC(TF),
               NVOLT,NRT, NOT, NTF, NBCT(SY,BC),NWKT(SY,WK),NFUNT(TF),
               NTB(TF) ,NTW(TF)
C          LABELLED
      COMMON   /PDP/ MXSYS,MXSEG
                                    331

-------
      COMMON   /MASS/ AIMASS,AOMASS,RIMASS,ROMASS,XLMASS,XKMASS,XBMASS,
                      XMASSO
      COMMON   /CPRINT/  PRINT(20),TPRNT(20),ADFAC,TPRINT
      COMMON   /DAYIND/  DAY,LDAY,NDAY,NEWDAY,DQTIME,DRTIME,DWKTIM
      COMMON   /NPSCOM/  NPSWK(SY,WK),INPS(WK),NWKS,NOWKS,LOPT
           INTERMEDIATE FILES
      COMMON   /SCRTCH/ FILE30(MB,M30),FILE50(MB,M50),FILE70(MB,M70),
                         FILE72(MB,M72),FILE73(MB,M73),FILE75(M75,1),
                         FILE80(SY,20),NBRK30(BC),NBRK50(WK),NBRK70(1),
                         NBRK72(1),NBRK73(TF),NBRK75(1)
      COMMON   /DUMP/    DTIME(MP),DVAR(MV,SY),DVOL(MP,SG)
C
C +-H-+++++++ END OF FILE WSPCMN.F4P  +++++-H-+++
C
                                     332

-------
c
c
c*
c
c
c
c
                        EU03WSP3.CMN
                  IBM 3033 VERSION OF WASP
                                               LAST REVISED 03/06/85
C
C
C
C
 ASSIGN SY=SYSTEMSf SG=SEGMENTS, CS=CONSTANTS,  PR=PARAMETERS
        BC=BOUNDARY CONG'S, WK=LOADS, TF=TIME FUNCTIONS
        MP=MAX PRINT REG'S, MD=MXDMP, MB=MAX NO.  BREAKS OR TF'S
********************************************************************
 INTEGER SY, SG, S2, CX, PR, BC, WK, TF,  MP,MB,MD,MDU,MB1
 INTEGER MV,M30,M50,M70,M72,M73,M75
 PARAMETER (SY=8, SG=30, S2=SG+SG, CX=75,  PR=15,  BC=40, WK=20,
. TF=14, MP=50, MB=50, MD=4, MDU=MD*SG, MB1=MB+1, MV=MD*SG*MP,
. M30=2*BC*SY, M50=2*WK*SY, M70=S2+1, M72=S2+1 ,  M73=2*TF,  M75=2*MB)

  PARAMETER (SY=8, SG=50, S2=SG+SG, CX=75,  PR=15, BC=50, WK=50,
 . TF=14, MP=50, MB=60, MD=4, MDU=MD*SG, MB1=MB+1,  MV=MD*SG*MP,
 . M30=2*BC*SY, M50=2*WK*SY, M70=S2+1, M72=S2+1,  M73=2*TF, M75=2*MB)
it*******************************************************************
 REAL      NVOLT,NRT,NQT,NBCT,NWKT,NFUNT,NFT,NTB,NTW
 REAL      MVOL,MR,MQ,MBC,MWK,MFUNC,NPSWK
 INTEGER   IN,HYDRO,AUX,FRQ,RESTRT,SCRN,OUT,SYSBY,RBY,QBY
 LOGICAL*4 ANCHOR
 REAL*8    AIMASS,AOMASS,RIMASS,ROMASS,XLMASS,XKMASS,XBMASS,XMASSO
 REAL*8    CD
********************************************************************
      INTEGERS
 COMMON /INTGR/ IN,ICRD,OUT,AUX,RESTRT,HYDRO,SCRN,
          NOSYS,NOSEG,ISYS,ISEG,ISIM,LISTG,LISTC,NPRINT,
          INITB,IPRNT,IDUMP(8,2) ,IDISK,IREC,MXDMP,IDFRC( 1 9),
          NBCPSY,NWKPSY,SYSBY(SY),RBY(SY),QBY(SY),NEGSLN,
          IR(S2),JR(S2),IQ(S2),JQ(S2),IBC(SY,BC),IWK(SY,WK),
          IVOPT,NOV,IROPT,NOR,IQOPT,NOQ,IBCOP(SY),NOBC(SY),
          IWKOP(SY),NOWK(SY),NOPAM,NCONS,NFUNC,
          ITIMR,ITIMV,ITIMQ,ITIMF(TF),ITIMB(SY,BC),ITIMW(SY,WK),
          ITCHCK,MXITER,INPERR,FRQ
      REALS
 COMMON /REAL/ ANCHOR,TIME,DT,TZERO,SCALT,TEND,PRNT,OMEGA,
          CD(SY,SG),C(SY,SG),CMAX(20),CMIN(SY),
          PARAM(SG,PR),CONST(CX),
          BVOL(SG),BR(S2),BQ(S2),BBC(SY,BC),BWK(SY,WK),BFUNC(TF),
          MVOL(SG),MR(S2),MQ(S2),MBC(SY,BC),MWK(SY,WK),MFUNC(TF),
          NVOLT,NRT, NQT, NTF, NBCT(SY,BC),NWKT(SY,WK),NFUNT(TF),
          NTB(TF) ,NTW(TF)
      LABELLED
 COMMON   /POP/ MXSYS,MXSEG
                                      333

-------
COMMON   /MASS/ AIMASS,AOMASS,RIMASS,ROMASS,XLMASS,XKMASS,XBMASS,
                XMASSO
COMMON   /CPRINT/  PRINT(20),TPRNT(20),ADFAC,TPRINT
COMMON   /DAYIND/  DAY,LDAY,NDAY,NEWDAY,DOTIME,DRTIME,DWKTIM
COMMON   /NPSCOM/  NPSWK(SY,WK),INPS(WK),NWKS,NOWKS,LOPT
     INTERMEDIATE FILES
COMMON   /SCRTCH/ FILE30(MB,M30),FILE50(MB,M50),FILE70(MB,M70),
                   FILE72(MB,M72),FILE73(MB,M73),FILE75(M75,1 ) ,
                   FILE80(SY,20),NBRK30(BC),NBRK50(WK),NBRK70(1) ,
                   NBRK72O ) ,NBRK73(TF) ,NBRK75(1 )
COMMON   /DUMP/    DTIME(MP),DVAR(MV,SY),DVOL(MP,SG)
                              33H

-------
C	TOXIWSPB.COM,  1/28/85
      REAL KAHL,KNHL,KBHL,KOXL,KBACWL,KBACSL,MWTG
      REAL KAHG, KNHG,KBHG,KOXG,KBACWG,KBACSG,K02G,K02L,K20
      REAL INDEXW,INDEXS,KOC,KOW,KP,KB, KVOG,TKEL,JL,IL
      REAL LATG,KDPG,KDPL,LIGHTN
C
      DIMENSION EBHG(3,1),ENHG(3,1),EAHG(3,1 ),QUANTG(3,1),
          KAHG(3,1),KBHG(3,1),KNHG(3,1),EOXG(3,1),KOXG(3,1),KBACWG(3,1),
          KBACSG(3,1),QTBAWG(3,1),QTBASG(3,1),TEMPM(SG),DEPTHG(SG),
          VELOC(SG),ALPHA(3),BIOTMG(SG),K02G(SG),PHG(SG),WS(SG),
          OXRADG(SG) ,WINDG(SG) ,TYPEE(SG) ,TOTKG(SG) ,ACBACG(SG)
      DIMENSION POHG(SG) ,OCS(SG),  BACTOG(SG),BIOMAS(SG),CMPETG(SG)
      SIMENSION DISPV(SG),KP(SG),PCTWA)SG),FRW(SG),DSPSED(SG)
      DIMENSION WOL(SG),BVOLO(SG),RVOL(SG),BMASS(SG),VOLKG(SG)
C
C             CONSTANTS
C
C         HYDROLYSIS
      EQUIVALENCE
          (CONST(1),EBHG(1,1)),     (CONST(4),ENHG(1,1)),
          (CONST(7)fEAHG(1,D),     (CONST(1 0) ,KAHG(1 ,1) ) ,
          (CONSTO3) ,KBHG(1 ,1)),    (CONST(1 6) ,KNHG( 1 ,1 ) )
C
C         OXIDATION
      EQUIVALENCE
          (CONST(25),KBACWG(1,1)),  (CONST{28),QTBAWG(1,1)),
          (CONST(31),KBACSG(1,1)),  (CONST(34),QTBASG(1,1))
C
C         PARTITIONING
       EQUIVALENCE (CONST(37),KOC),  (CONST(38),KOW),(CONST(39),OCB),
          (CONST(40),ALPHA(D)
C
C         VOLATILIZATION
      EQUIVALENCE
          (CONST(43),MWTG),(CONST(44),HENRYG),(CONST(45),VAPRG),
          (CONSTU6) ,KVOG) , (CONST(47) ,SOLG), (CONST(48) ,ESOLG),
          (CONST(49),EVPRG),(CONST(50),EHENG),(CONST(51),WIND),
          (CONST(52),K02L),(CONST(53),DUMMY6)
C
C         PHOTOLYSIS
                                    335

-------
      EQUIVALENCE (CONST(54),KDPG),
          (CONST(55),RFLATG),(CONST(56),CLOUDG),(CONST(57),LATG),
          (CONST(58),DFAOG),(CONST(59),QUANTG(1 ,1))
C
C         SPECIAL PRINT OPTIONS
      EQUIVALENCE (CONST(62),XJTR),(CONST(63),CTRIG),(CONST(64),DTOPT) ,
          (CONST(65),TDINT)
C
C         INTERNALLY SAVED CONSTANTS
      EQUIVALENCE (CONST(67),BURY),(CONST(68),KDPL),
          (CONST(69,KB),(CONST(70),TEMPN),(CONST(71),TKEL),
          (CONST(72),PNEXT(,(CONST(73),TCOUNT),
          (CONST(74),TMARK),(CONST(75),XJSTR)
      EQUIVALENCE (CONST(76),PH),(CONST(77),POH),(CONST(78),LIGHTN) ,
          (CONST(79),INDEXW),(CONST(SO),INDEXS),(CONST981),BOTLIT),
C    .    (CONST(82),TIMCHK),(CONST(83),MOQS),(CONST(84),NOWKS),
          (CONST(85),TMASS)
C
C             PARAMETERS
C
      EQUIVALENCE (PARAM(1,1),TEMPM(1)),(PARAM(1 ,2),DEPTHG(1)),
           (PARAM(1,3),VELOC(1)),(PARAMd,4),WINDG(1)),(PARAM(1,5),
            TYPEE( 1 )),(PARAM( 1,6),BACTOG( 1 )),(PARAM( 1,7),ACBACG(1)),
           (PARAMd ,8),BIOMASS(1) ),(PARAMd ,9),BIOTMG(1) ),
           (PARAM(1 ,10),POHG(D), (PARAMd, 11),OXRADG(D),
      EQUIVALENCE
           (PARAMd ,12) ,OCS(1 ) ), (PARAMd ,13) ,PCTWA(1 ) ),
           (PARAMd ,14),DSPSED(1) ),(PARAMd ,15),PHG(1) ),
           (PARAM(1 ,17),CMPETG(1 )),(PARAM(1 ,16),WS(1 )),
           (PARAMd ,18) ,TOTKG(1) ),(PARAMd ,19),DISPV(1) ),
C
      EQUIVALENCE (PARAM(1,20),VVOL(1)),(VVOL(1),BVOLO(1)),
                  (WOL(1),RVOL(1) )
      EQUIVALENCE (PARAMd ,14) ,VOLKG(1 ) ), (PARAMd ,21) ,BMASS(1 ) )
      EQUIVALENCE (PARAMd ,1 2) ,KP(1 )),( PARAMd , 1 3 ) ,FRW(1 ))
      EQUIVALENCE (PARAM( 1 ,3),BO2G(1 )),
C
      EQUIVALENCE (IDUMP(1,1),11),(IDUMP(1,2),J1)
C
c	
                                    336

-------
c
C THIS IS THE INCLUSION 'EUTRO.COM1
C
COMMON/EUTRO1 /
F,
C3,
GP,
.
H,
C4,
10,
DO,
I,
C5,
KA,
ON,
CN,
C6,
KE,
OP
CS,
C7,
C1
C8
,
,
SA,



C2
C9
TN

9
9
9

COMMON/EUTR02/
K20,
C16,
DZ1 ,
GZ2,
SKE,
TIP,
N02
C10,
C17,
DZ2,
IAV,
SK9,
TON,

C1 1,
C18,
DIP,
IKE,
SOD,
TOP,

C1 2,
C19,
GPP,
ITO,
SR9,
TSI,

C13,
DPP,
GP1 ,
NH3,
STP,
VEL,

C14,
DP1
GP2
NO3
SUM
VOL

,
9
,
,
9

C15
DP2
GZ1
SAL
TIN
ZOO

9
9
9
1
9
9

COMMON/EUTR03/
FLUX,
REAK,
SK78,
SR63,
SR84,
BBOD,
GIT1 ,
PHYT,
SK8P,
SR64,
TEMP,
BODS,
GIT2,
RADJ,
SR17
SR7P,
FLOW,
PSED,
IBOT,
RESP,
SR5P,
SR73,
WIND,
EXCH
IMAX,
SK17,
SR53,
SR74,
UBOD,

ITMP
SK58
SR54
SR8P
OPO4

9
1
9
t
t

ITOT
SK68
SR6P
SR83
CBOD

9
9
,
9
9

COMMON/BUT RO4/
PFLUX ,
CCHL2 ,
DOMAX,
HGRAZ ,

ASSIM,
BFLUX,
CHLA1 ,
DOMIN ,
KESHD,
CCHL1 ,
PEXCH,
CHLA2 ,
DTD AY,
PTIME,
SK228,
TFNH4,
DEATH,

RATIO,
KOREA,
SK210,
DEL02 ,
DUMMY,
RESP2,
WINDF
SR822
DERIV
FRPIP
RNUTR
r
t
9
1
9

TFPO4
DODEF
GRAZP
SK140

9
9
9

COMMON/EUTRO5/
SK16P,
SR11P,
SR1 33,
SR80P,
TNLIP,
SK180,
SR1 1 3 ,
SR134,
STP20,
XEMP1 ,
SK19P,
SR114,
SR15P,
SW1 6A ,
XEMP2,
SK19Z,
SR12P,
SR1 8P ,
TCHLA,
XEMP3,
SR10P,
SR1 2 3 ,
SR183,
TEMPI ,
XEMP4,
SR103
SR124
SR184
TEMP 2
ZRESP
9
9
9
9
9
SR104
SR13P
SR190
TEMP3
LIMIT
9
9
9
9

COMMON/EUTRO6/
CHLA1 X,
GPMDP2,
RLIGHT,
SK1213,
SK1814,
CHLA2X,
GZMDZ1 ,
RTOXG1 ,
SK1 3P1 ,
SK1913,
FXNAVG,
GZMDZ2,
RTOXG2 ,
SK13P2,
SK1918,
GITMAX,
HGRAZ E,
SEDSEG,
SK1314,
SR10PU,
GITMX1 ,
PNH3G1 ,
SEDVLS,
SK14P1 ,
SR103U,
GITMX2
9
GPMDP1
9
PLNH3G2 ,
SK1013
9
SK14P2,
SR1 1PU,
SK1 1 1 3
SK1516
SR1 1 3U
9
t

COMMON/EUTRO7/
SR1 2PU,
SR15PG,
SR53UN,
SR1 23U,
SR1615,
SR6PUN,
SR1 3NF,
SR18PU,
SR63UN,
SR13ON
SR183U,
SR7PUN,
SR13PU,
SR19PA,
SR73UN,
SR133U,
SR19PB,
SR8PUN,
SR1413,
SR5PUN ,
SR83UN,
337

-------
c
c
         TCHLAX, TZOOPL, XDUM89,  XDUM95,  XEMPRC, ZGRAZE, ZRESP1,
         ZRESP2, BOTBOD, DEPTHM,  WINDSG,  VELSGM, TRANDP,
         TEMPSG, SR1821, SK2118,  SK1921,  PSEDIM,
         BSEDIM, AVDEPE, AVVELE,  CPOREA,  EXPRED, EXPREV
      LOGICAL SEDSEG, SW1 6A
      REAL      AVDEPE,AVVELE,CFOREA,
                EXPRED, EXPREV,KOREA,REAK,
                DIP,TRANDP,WINDF
      REAL   NH3,NO3,LIMIT,No2,K2013C,K2013T,NOTLIM,K1320C,K1320T
         ,K2014C,K2014T
      REAL   K1C,K1T,LGHTSW,IS1 ,KMNG1 ,KMPG1 ,KMSI,K1RC,K1RT,K1D,KMPHYT
         ,NCRB,K2C/K2T,IS2,KMNG2,KMPG2,K2RC,K2RT,K2D,KMCG,KMAZP1,K3RC
         ,K3RT,K3D/K4RC,K4RT,K4D,K58C,K58T,K68C,K68T,K78C,K78T,K1013C
         ,K1013T,K1113C,K1113T,K1213C,K1213T,K1 314C,K1314T,KNIT
         ,K140C,K140T,KN03,K1516C,K1516T,KDC,KDT,KBOD,ITOT,NITFIX
         ,KCLTX1,KCLTX2
      REAL   KPZDC,KPZDT,KOPDC,KOPDT,KONDC,KONDT,KUSDC,KUSDT,KDSC,KDST
      REAL   KE(5),TEMP(4),DEPTH(SG),TYPEE(SG),BOTSG(SG),VELSG(SG)
         ,TMPSG(SG),KESG(SG),RLGHTS(SG,2),EDIF(SG),SOD1D(SG),FPIPWC(SG)
         ,FNH4(SG),FPO4(SG)
      REAL   KESHD,IAV,IMAX,IO,KA,K20
      REAL BCT(MP)
      EQUIVALENCE    (CONST(1 )
         ,  (CONST(4),PHIMX )
         ,  (CONST(7),IS1    )
      EQUIVALENCE
            (CONSTd 0) ,K1RC  )
         ,  (CONSTd 3),KMPHYT)
         ,  (CONSTd 6) ,OCRB  )
         ,  (CONSTd 9 ),FPIPSL)
         ,  (CONST(22),FSON  )
         ,  (CONST(25),K1013C)
      EQUIVALENCE
            (CONST(28),K1320T)
         ,  (CONST(31),KNIT  )
         ,  (CONST(34),KDT   )
         ,  (CONST(37),SVPN  )
         ,  (CONST(40),SCOUR )
         ,  (CONST(43),KOPDC )
         ,  (CONST(46),KONDT )
,K1C) , (CONST(2),K1T) , (CONST(3),LGHTSW)
,  (CONST(5),XKC   ) , (CONST(6),CCHL  )
,  (CONST(8),KMNG1 ) , (CONST(9),KMPG1  )
(CONSTd 1) ,K1RT )
(CONST(14),PCRB )
(CONSTd 7 ),NUTLIM)
( CONST ( 20 ),FSOP )
(CONST{23) ,K58C )
(CONST(26),K1013T)
(CONST(29) ,K2014C)
(CONST(32) ,KBOD )
(CONST(35) ,SVP1 )
( CONST ( 38 ),SVBOD )
(CONST(41) ,KPZDC )
(CONST ( 44 ),KOPDT )
(CONST(47) ,KDSC )
, (CONSTd 2) ,K1D )
, (CONSTd 5 ),NCRB )
, (CONSTd 8), FPIPWX)
, (CONST(21),FSIP )
, (CONST(24) ,K58T )
, (CONST(27),K1320C)
, (CONST(30) ,K2014T)
, (CONST(33),KDC )
, (CONST(36) ,SVPP )
, ( CONST ( 39 ) ,SEDVEL)
, (CONST (4 2) ,KPZDT )
, ( CONST ( 45 ),KONDC )
, (CONST(48) ,KDST )
                                    338

-------
c
c
 EQUIVALENCE
      (CONST(49). ,KMCG
    ,  (CONST(52),AZP1
    ,  (CONST(55) ,K3RT
 EQUIVALENCE
     (CONST(59)
 EQUIVALENCE
    (PARAM(1 ,1 )
.   , (PARAMd ,3)
,   ,{PARAM(1 ,5)
.   , (PARAMd ,9)
 EQUIVALENCE
    (PARAMd ,12), FNH4(1) )
    (PARAM(1 ,14) ,RLGHTS)1 ,1 ))  ,
    NPSWK COVERED PARAM (1,16)
                                 (CONST(50),CGC    )
                                 (CONST(53),KMAZP1)
                                 (CONST(56),K3D    )
                     (CONST(51)
                     (CONST(54)
                     (CONST(57)
,CGT
K3RC
SVZ1
                           (CONST(74) ,T16A)  , (CONST(75) ,TIMCHK)
                     ,DEPTH(1 ) )
                     ,BOTSG(1) )
                     ,TMPSG(1 ) )
                     ,EDIF(1) )
( PARAM( 1,2) ,T YPEE( 1 ) )
(PARAM(1 ,4) ,VELSG(1) )
(PARAM(1 ,7),KESG(1) )
(PARAMd ,10),SOD1D(1) )
(PARAMd ,11) ,FPIPWC(1) ),
,  (PARAMd ,13), FP04(D),
    (PARAMd ,15) ,RLGHTS(1
    THROUGH PARAM(SG,20)
                                                             2) )
                                    339

-------
3.3.4.3  Subroutine Descriptions--

     WASP3 is a modular program.  Its many subroutines can be grouped
into the functional categories of "input," "process,"  "output,"  and
"utility," as in Figure 54.  Data are shared among the subroutines
primarily through the WASP COMMON.
MAIN

     The WASP3 main program is the control module.   It assigns input and
output unit numbers, and operates the calling sequence for  the input,
simulation, and output subroutines.
                            Input Subroutines

WASP1

     WASP1 opens the input and output units,  then reads  Data Group A for
model identification and system bypass options.   Information is  printed  and
values and arrays are initialized.
WASP2

     WASP2 reads Data Group B for either bulk exchanges or sets of dispersion
coefficients, cross-sectional areas, and characteristic lengths.  The  latter
are converted to bulk exchanges, and information is stored in memory and
printed.
WASP 3

     WASPS reads Data Group C for volumes.  If indicated,  volumes are read
from restart file "ICRD."  Information is stored in memory and printed.
WASP4

     WASP4 reads Data Group D for advective flows,  which are converted to
internal units of million cubic feet per day.   Information is stored in
memory and printed,  if indicated, WAS4A is called to read flows from a
hydrodynamic file created by DYNHYD3.
WAS4A

     If indicated, WAS4A opens the hydrodynamic file "SUMRY2.OUT" created by
DYNHYD3, and reads some basic hydrodynamic network information in either a
formatted or unformatted mode.  WAS4A then reads the junction to segment
correspondence, sets the WASP time step, and prints information.

                                    340

-------
WASP5

     WASPS reads Data Group E for boundary concentrations for each" model
system.  Information is stored in memory and printed.
WASPS

     WASPS reads Data Group F for waste loads for each model system.  Infor-
mation is stored in memory and printed.
WAS6A

     If indicated, WAS6A opens the unformatted loading file "NPS.DAT" created
by a runoff model and stored in the sequence illustrated in Table 22.  The
runoff day corresponding with the initial WASP simulation day is read.  Input
segment numbers corresponding to each runoff load are read.  Actual runoff
loads from the file are printed as specified.  Finally, the file is posi-
tioned properly to begin the WASP simulation.
                     TABLE 22.  CONTENTS OF "NPS.DAT"
Record
Number                             Contents of Record
 1             NWKS, MDUM, MDUM, MDUM
 2             ((NPSWK(I,J),1=1,NOSYS),J=1,NWKS)
 3             ((NPSWK(I,J),1=1,NOSYS),J=1,NWKS)
N+1
Variable
NWKS
MDUM
NPSWK
NO SYS
I
J
N
( (NPSWK (I
Type
1*4
1*4
R*4
1*4
1*4
1*4
—
, J) ,1=1 ,NOSYS) ,J=1 ,NWKS)
Definition
The number of runoff loads
Dummy variable, not used




Runoff loads, averaged over day, in Ib/day
Number of water quality variables
Water quality variable counter
Runoff load counter
Number of days for which loads are
(or systems)


available
                                     34-1

-------
WASP7

     WASP7 reads Data Group G for parameters for each segment,   it then reads
Data Group H for constants.  Finally, it reads  a specified number of kinetic
time functions.  Information is stored in memory and printed.

WASP9

     WASP9 reads Data Group J for initial concentrations in all segments for
each model system.  Versions 2 and 3 of WASP expect the  first data record to
be a descriptive "header" card,  if not, WASP9  uses functions CHRDEC and
CHRDIG to convert the line to input concentrations  expected by  the original
WASP.  If indicated, initial concentrations are read from restart file "ICRD."
Information is stored in memory and printed. WASP9 finally reads Data Group
K for maximum and minimum concentrations for each model  system.
WAS10

     WAS10 reads Data Group L for constant or variable print intervals.
Next, either eight system-segment pairs are read for intermediate  printout
during the simulation, or a model system is read for a global mass balance
check.  Information is stored and printed.
WAS1 1

     WAS11 reads Data Group M for integration control information,  including
the starting and ending time for the simulation,  a series  of  time step sizes,
the negative solution option, and the advection factor,   information is
stored in memory and printed.
                           Process Subroutines

     Once input data groups A-M are read, control is  passed to EULER to
perform the simulation.
EULER

     EULER is the heart of the simulation,  stepping through time performing
a first-order EULER integration.  First,  counters  and time  functions  are
initialized to TZERO with help from subroutine TINIT.  initial printouts are
set up with a call to WAS13, then initial mass derivatives  are computed with
a call to DERIV.  A fatal input error condition is checked  for,  then  the
integration proceeds, time step by time step.

     For each time step, EULER loops through each  system and segment, com-
puting the new mass as follows:

             new mass = old mass + mass derivative .  time  step

                                     342

-------
Each new concentration is set to the new mass divided by the new volume, and
the mass derivative is reset to zero.  If the negative solution option is
"0," any negative concentrations are replaced by one-half of the old mass
divided by the new volume.  Next, EULER increments the time and adjusts the
new day counter if necessary.  If it is the proper time, EULER calls WAS13 to
produce intermediate printouts and trigger storage of all display variables
(by returning IDISK = 1 ) .  New mass derivatives are obtained with a call to
DERIV.  Volumes are stored if IDISK = 1.  The final task for each time step
is to check for a new time step and for the end of the simulation.  New time
steps are periodically set by calling WAS14.

     When the final time for the simulation is detected, EULER triggers a
final storage of display variables, then stores final volumes and concentra-
tions in file "RESTRT."  Control is then passed back to MAIN.
DERIV

     DERIV is called by EULER to calculate mass derivatives,  it first checks
and obtains new flows and volumes from a hydrodynamic file by calling DHYD1
or DHYD2.  It then obtains the kinetic derivative by calling WASPB.  Finally,
it obtains the transport and loading derivatives by calling WAS12.
DHYD1 and DHYD2

     One of these subroutines may be called by DERIV to obtain new hydro-
dynamic information from the hydrodynamic file "SUMRY2.OUT," created by
DYNHYD3.  These subroutines are equivalent, except that DHYD1 reads an
unformatted file while DHYD2 reads a formatted file.

     For the first time step, DHYDx reads the basic hydrogeometry and ini-
tializes its arrays.  Hydrodynamic junction to water quality segment corre-
spondence is established, and flow directions are fixed.  Upstream and sea-
ward boundaries are set up, and boundary concentrations are located for each.
The hydrodynamic file is positioned properly in time, and flows for the first
time step are printed.

     For each time step throughout the simulation, DHYDx is called and reads •
new flows and volumes from SUMRY2.OUT.  These are scaled and converted to
internal WASP3 units.  New boundary flows are set up.  If the end of the
hydrodynamic file is properly detected, it is reset to its beginning point,
and the simulation proceeds.  If the file end is improperly detected in the
middle of a read, the simulation is aborted.
WAS1 2

     WAS1 2 is called by DERIV to obtain the transport and loading derivatives.
Upon entry to WAS12, only the kinetic portion of the mass balance derivative
has been evaluated by WASPB.  WAS12 calculates the mass derivatives due to
advective flow, dispersive exchange, point source waste loading, and runoff

                                    343

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loading, and adds them to the kinetic derivative.  WAS12 goes through the
following steps:

     a.  Using the IQ and JQ vectors as drivers, WAS1 2 computes advective
transport.  Variable flows are updated by calling WASPS if necessary, and
volumes are adjusted for continuity.  For each system, variable boundary
concentrations are updated by calling WAS8A if necessary.  For each flow,
Q, proper upstream and downstream concentrations are assigned by calling
WA12A.  The advected concentration CSTAR is determined,  and mass derivatives
for the downstream and upstream segments are adjusted by + Q.CSTAR.

     b.  Using the IR and JR vectors as drivers, WAS12 computes dispersive
transport.  Variable exchanges are updated by calling WASPS if necessary.
For each system and each exchange flow, R, proper upstream and downstream
concentrations Q.^ and C1 are assigned by calling WA12A.  Mass derivatives
for the downstream and upstream segments are adjusted by _+ R . (C2-C-] ).

     c.  Using the IWK vector as a driver, WAS12 computes point source
loading.  For each system, variable loadings are updated by calling WAS8A
if necessary.  For each load L (in Ib/day), the mass derivative for the
affected segment is adjusted by + L/62.4.

     d.  Using the INPS vector as a driver, WAS12 computes diffuse source
loading if appropriate.  New loads are read from file NPS.DAT at the beginn-
ing of each new day.  For each load L' (in Ib/day), the mass derivative for
the affected segment is adjusted by + L'/62.4.
WA12A

     WA1 2A is called by WAS1 2 to determine the proper upstream and downstream
concentrations C2 and C^ for advective flow from segment JQ to segment IQ or
dispersive exchange between segments JR and IR.  For flows or exchanges with
a downstream boundary, the proper boundary concentration is located for C-|.
For flows or exchanges with an upstream boundary, the proper boundary concen-
tration is located for ۥ
WASPB

     WASPB is the user-specified water quality subroutine that calculates the
kinetic mass derivative and stores the proper display variables for later
printout.  WASPLB may call several other subroutines.  These are discussed
below for eutrophication and toxic chemical subroutines.
WASPS

     WASPS is called by WAS1 2 to update the piecewise linear functions of
time, if any, for exchange coefficients, advective flows, and kinetic time
functions.  This means computing new slopes and intercepts, and setting a
variable to indicate the next simulation time that the functions are to be

                                    31414

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updated.  The following convention is used for the i^h update.

               slope = f(t)i+1 _ f(t)j
          intercept =

   next update time =
WAS8A

     WAS8A is used to update the piecewise linear functions of time, if any,
for boundary conditions and forcing functions.  This means computing new
slopes and intercepts for any system or state variable that requires an
update, and setting a variable to indicate the next simulation time that the
piecewise linear functions are to be updated.  The same conventions used in
WASPS are used in WAS8A for computing slopes and intercepts.
WAS1 3

     WAS1 3 is called every print interval by EULER to print intermediate
concentrations or mass checks on a designated constituent.  At this time, the
solution stability is checked by comparing the maximum concentrations speci-
fied by the user with calculated concentrations.  If any concentrations
exceed the maximum, the simulation is aborted.
WAS14

     WAS1 4 is called by EULER to adjust the integration step size (time step)
as specified by the user in Data Group M.
TIN IT

     TINIT is called by EULER at the beginning of the simulation to adjust
time functions to the initial time TZERO.  TINIT checks and adjusts time
functions for exchanges, flows, kinetic time functions, boundary concentra-
tions, and loads.
TOPT

     TOPT can be called by the user WASPB subroutine to maximize the time
step subject to the flow and dispersion stability constraints.  This should
reduce numerical dispersion, but is not unconditionally stable.  The time
step calculated by TOPT is 0.5 days will fall between 0.01 and 0.5 days.
                                     345

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                            Output Subroutines

     Once the simulation is complete, control is passed to the output sub-
routines to print tables, time plots, and spatial plots.
WAS16

     WAS16 reads Data Group N system by system to determine what tables the
user wants printed.  Designated state variable concentrations and display
variables are retrieved from memory and printed at all print intervals covered
by the simulation.  There is no limit to the number of tables that can be
specified.  The total mass in each system is calculated and printed at each
print interval following the tables.
WAS17

     WAS17 reads Data Group 0 system by system to determine what time plots
the user wants printed.  Designated state variable concentrations and display
variables are retrieved from memory and plotted at all print intervals covered
by the simulation.  There is no limit to the number of time plots that can be
specified.
WAS19 (including STR, PLOT, BLKPLN)

     WAS19 reads Data Group P to determine what spatial plots the user wants
printed.  Designated state variable concentrations and display variables are
retrieved from memory and plotted for all segments at designated times.'
Observed data can be read and included on the plots.  There is no limit to
the number of spatial plots that can be specified.


FREQ (including ORDER)

     FRBQ is called if the switch ISTAT is activated in the users WASPB
subroutine.  The unformatted file "FREQ.TMP" must be produced by the WASPB
subroutine during the simulation.  A set of three records should have been
stored at regular intervals throughout the simulation, as specified in Table
23.  FREQ reads the detailed concentration time history for the two designated
segments, computes and prints descriptive statistics, then prepares and
prints cumulative probability tables.


                           Utility Subroutines

     Several utility subroutines can be called to help perform routine tasks.
                                    346

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                    TABLE 23.  CONTENTS OF "FREQ.TMP*
Record
Number
1
2
3
•
•
•
•
Variable
TZERO
TIME
ICOUNT
JTR

JSTR

CCKK)

CC2(K)



TZERO,
ICOUNT
ICOUNT
Type
R*4
R*4
1*4
1*4

1*4

R*4

R*4


Contents of Record
TIME, ICOUNT, JTR, JSTR
, TIME, (CC1(K), K=1,4)
, TIME, (CC2(K), K=1,4)
Definition
Initial simulation time, days
Simulation time for this group of records, days
The sequence number for this group of records
The segment number for the first set of concen-
trations
The segment number for the second set of concen-
trations
Concentrations of four constituents in segment JTR
at this simulation time
Concentrations of four constituents in segment
JSTR at this simulation time.
BRKERR

     BRKERR prints an error message to output file and screen concerning
the number of data points in a time function;  the simulation is  aborted.
CHRDEC

     CHRDEC is a real function that converts a character string to its
real equivalent.
                                    347

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CHRDIG

     CHRDIG is an integer function that converts a character to its integer
equivalent.
FMTER

     FMTER prints an error message to output file and screen concerning input
data formats; the simulation is  aborted.
SCALP

     SCALP multiplies a real vector by a scale  factor.


SETCA

     SETCA sets a character array to a specified  character  value.


SETIA

     SETIA sets an integer array to a specified integer  value.


SETRA

     SETRA sets a real array to a specified real  value.


SETXA

     SETXA sets a double precision array to a specified  double  precision
value.
WERR

     WERR writes error messages for improper segment designations and missing
boundary conditions; the simulation is aborted.
WMESS

     WMESS prints a message when stability criteria are violated;  the simula-
tion is aborted.
                                   348

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                    Eutrophication Kinetic Subroutines

     The WASP3 eutrophication kinetics are calculated through a special
WASPB subroutine structure, illustrated in Figure 55.  These subroutines
combine biological and chemical constants with environmental parameters to
determine transformation rates among the eight eutrophication systems (state
variables).  From these rates and the concentrations passed by WASP, kinetic
mass derivatives are calculated and passed back to WASP where they are inte-
grated along with the transport and loading derivatives every time step.
      EU03IN
                                EUTRWASPB
       	EU03CMN
-|EU03S4|
                                    - EU03S8
                                    - EU03S3,
                                    - EU03S7
                                    -|EU03S1 |

                                    -|EU03S2|
                                    - EU03S5
                                    - EU03S6
                                    -|EU03K2|

                                    -|EU03SX|
EU03DU
   Figure 55.  Eutrophication subroutine structure.
WASPB (EUTRWASPB)

     EUTRWASPB serves as the main program for the kinetic portion of
EUTRWASP, calling other subroutines when appropriate.  Initialization is
performed during the first time step by calling EU03IN.  Kinetic time
functions are updated throughout the simulation.  For each segment, ambient
concentrations and environmental conditions are determined, then mass
derivatives are obtained with successive calls to EU03S4, EU03S8, EU03S3,
                                     34-9

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EU03S7, EU03S1, EU03S2, EU03S5, and EU03S6.  At print intervals, state
variable and display variable concentrations are stored by calling EUO3DU.
Finally, EU03SX is called to calculate the exchange of dissolved phases
between water column and benthic segments and adjust the derivatives.
EU03IN

     EU03IN is called during the first time step only to initialize para-
meters, counters, and functions for the simulation.   For the phytoplankton
system, initial and boundary concentrations are converted from the input
units of ug-Chla/L to the internal units of mg-CRB/L.  Sedimentation and
scour velocities are converted to ft/day, and water column-benthic exchange
coefficients are converted to bulk exchanges in internal units of MCF/day.
Finally, benthic fluxes of NH4 and P04 are converted to internal loadings in
mg/L . MCF/day.
EU03S4

     EU03S4 calculates the phytoplankton kinetics,  and is called first be-
cause it affects all the other systems.  For water  column segments,  the
growth rate is first calculated.  The maximum growth rate is adjusted for
temperature, then reduced according to ambient light conditions using either
the Dick Smith or DiToro formulation.  Ammonia preference is calculated,  then
the growth rate is further reduced if nitrogen or phosphorus is in limited
supply.  Respiration, death, and settling rates are calculated, and, finally,
the mass derivative.
EU03S8

     EU03S8 calculates the sources and sinks of organic phosphorus and
computes the mass derivative.
EU03S3

     EU03S3 calculates the sources and sinks of inorganic phosphorus and
computes the mass derivative.
EU03S7

     EU03S7 calculates the sources and sinks of organic nitrogen and computes
the mass derivative.
EU03S1

     EU03S1 calculates the sources and sinks of ammonia nitrogen and
computes the mass derivative.

                                    350

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EU03S2

     EU03S2 calculates the sources and sinks of nitrite plus nitrate nitrogen
and computes the mass derivative.
EUO 3S5

     EU03S5 calculates the sources and sinks of carbonaceous biochemical
oxygen demand and computes the mass derivative.
EU03S6

     EU03S6 calculates the sources and sinks of dissolved oxygen and computes
the mass derivative.  The reaeration rate is obtained for surface water
segments by calling EU03K2.
EU03K2

     EU03K2 calculates the ambient reaeration rate based on temperature,
wind speed, water velocity, and water depth.  The current-driven portion
of this rate is calculated using the Covar method, which chooses among
three formulas based upon velocity and depth.  The oxygen saturation
level is finally calculated as a function of water temperature.
EU03DU

     EU03DU is called every print interval to store state variable and dis-
play variable concentrations.  First the display variables are calculated,
then the simulation time is stored in memory.  Address counters for the
storage arrays are calculated, and four variables are stored in memory for
each system.
EU03SX

     EU03SX calculates the dispersive exchange of dissolved phases between
water column and benthic segments, and adjusts the mass derivatives accord-
ingly.  If no benthic segments are present, this calculation is skipped.
Finally, additional ammonium and phosphate fluxes as specified by the user
are added, and derivatives are adjusted.
                    Toxic Chemical Kinetic Subroutines

     The WASP3 toxic chemical kinetics are calculated through a special
subroutine structure, illustrated in Figure 56.  These subroutines combine
chemical and environmental parameters to produce first-order rate constants
and, from chemical concentrations passed by WASP, calculate kinetic

                                    351

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derivatives.  These derivatives are passed back to WASP where they are
integrated along with the transport and loading derivatives every time step.
                                TOXIWASPB
            	TOXCMN
   TOXINIT
TOXIFORD
                                - TOXIVOLT
                                - TOXIREOX
                                - TOXIPHOT
	  TOXISEDW     TOXIDU
                    TOXISETL
Figure 56.  Toxics subroutine structure.
WASPB (TOXIWASPB)

     TOXIWASPB serves as the main program for the kinetic portion of TOXIWASP,
calling other subroutines when appropriate,  initialization is performed
during the first time step by calling TOXINIT.  As the simulation progresses,
the proper time- and space-variable environmental and chemical characteris-
tics are calculated, then passed to TOXIFORD.  Kinetic derivatives are calcu-
lated based on first-order rate constants returned from TOXIFORD.  These
derivatives are then adjusted for settling, erosion,  and percolation by
calling TOXISETL.  Further adjustments in the derivatives due to pore water
mixing and sediment-water exchange are calculated by  calling TOXISFJDW.
Variables are periodically dumped to a save file and  intermediate parameters
and results are printed by calling TOXIDUMP.  Finally, the time step is
optimized by calling TOPT, if the user chooses.
TOXINIT

     TOXINIT is called during the first time step only to initialize para-
meters and functions for the chemical simulation.  The top sediment layer for
the special print segment is identified.  Effective partition coefficients
for each segment are calculated from either the organic carbon or octanol-
water partition coefficient, the spatially variable sediment organic carbon
fractions, and the target organism organic carbon content.  For benthic
segments, the units of biomass are adjusted and porosity is calculated.  The
                                    352

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active bacterial population is calculated for all segments.  Initial and
reference bed volumes are saved, values are initialized to 0, and CMAX(1) is
set to assure the first-order decay assumption.  Finally, TOXINIT checks for
proper segment alignment, with assigned numbers increasing sequentially from
water surface to bottom benthic segments.
TOXIPORD

     TOXIFORD, a modification of the EXAMS subroutine FIRORD, calculates
total first order chemical transformation rates for each segment as the
simulation progresses.  The total first-order rate for each segment is the
summation of the transformation (including degradation or transfer) rates
due to five processes:  hydrolysis, oxidation, bacterial degradation,  volati-
lization, and photolysis.  These individual rates are calculated from ambient
environmental and chemical characteristics passed from TOXIWASPB.

     Whenever total rates are to be recalculated during a simulation,  TOXI-
WASPB calls TOXIFORD once for each segment.  TOXIFORD first calculates the
volatilization transfer rate of dissolved chemical from surface water  seg-
ments by calling TOXIVOLT.  Next, the photolysis rate constant is calculated
for water segments by calling TOXIPHOT.  Then, for each species of the chemi-
cal (dissolved, sediment-sorbed, and biosorbed), first-order transformation
rates are calculated for photolysis, hydrolysis, oxidation, and bacterial
degradation.  Finally these individual rates are summed to give a total
first-order chemical disappearance rate, which is passed back to TOXIWASPB.
TOXIVOLT

     When called by TOXIFORD, TOXIVOLT computes the volatilization transfer
rate constant for a surface water segment using a two-film model of movement
of toxicant across the air-water interface.  Liquid phase resistance is
computed from oxygen reaeration rates modified by the chemical molecular
weight.  Gas phase resistance is computed from wind speed and Henry's Law
constant, which is supplied by the user or calculated from vapor pressure and
solubility data.  The volatilization rate is computed from the air and water
phase resistances and the depth of the surface water segment.
TOXIPHOT

     When called by TOXIFORD, TOXIPHOT computes the photolysis transformation
rate constant for a water segment.  TOXIPHOT accepts a measured (clear day)
photolysis rate constant at a specified reference latitude as input data.
Next, this rate constant is corrected for the latitude, cloud cover,  and
light extinction in the water column.  The rate is further modified by a
time-varying input function to approximate seasonal changes in incident light
intensity.
                                    353

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TOXIREOX

     TOXIREOX is call by TOXIFORD for surface water segments to calculate
reaeration velocities.  These are used in TOXIVOLT for calculating voleitili-
zation rates.  For the first time step only, TOXIREOX calculates average
flow-induced reaeration rates by the Covar method (Covar,  1976)  using average
segment velocities and depths.  In subsequent time steps,  TOXIREOX calculates
time-varying wind-induced reaeration rates.  The reaeration rate returned to
TOXIFORD is either the flow-induced rate or the wind-induced rate, whichever
is larger.  TOXIREOX is slightly modified from the HSPF subroutine OXREA.
TOXISETL

     TOXISETL is called by TOXIWASPB for each segment and each time step to
calculate settling of chemical and suspended sediment from the water column,
erosion of chemical in the bed, and percolation of dissolved chemical verti-
cally through the bed.  Concentration derivatives  are adjusted within TOXI-
SETL.  First, settling rates are calculated from spatially variable settling
velocities, segment depths, concentrations of sorbed  chemical and suspended
sediment.  Erosion is calculated from spatially variable yearly depletion
rates from the bed sediment surface, along with sediment density and sorbed
chemical concentration.  Bed sediment segments are assumed to maintain their
physical characteristics, such as density, porosity,  and organic content.
Vertical pore water percolation is calculated from spa-
tially variable vertical flow rates, along with porosity and dissolved con-
centrations.  Positive flow is upward, and negative flow is downward.  It
should be noted that downward percolation will eventually transport the
chemical out of the bottom benthic segment.
TOXISEDW

     TOXISEDW is called by TOXIWASPB for surface benthic segments each time
step to calculate dispersive exchanges of chemical between the  bed and the
water column.  Concentration derivatives are adjusted within TOXISEDW.  The
two mechanisms are pore water diffusion and local surface sediment equili-
bration with the water column.  Pore water diffusion is calculated from
spatially variable diffusion coefficients, surface areas, characteristic
mixing lengths, and sediment porosity.  Sorption-desorption of  chemical
between overlying water and the benthic surface is calculated using sediment
turnover rates and chemical partition coefficients.  Because local equili-
brium is assumed, sorption-desorption is controlled by the fraction of under-
lying sediment brought into contact with the overlying water per unit time.
This fraction is related to the pore water diffusion rate by a  spatially
variable multiplier supplied by the user.  For immobile, armored stream
reaches, the multiplier may be 0,  whereas for reaches vigorously mixed by
physical or biological processes,  the multiplier may be 1 , with high pore
water dispersion coefficients as well.
                                    354

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TOXIDUMP

     At specified intervals, TOXIWASPB calls TOXIDUMP to prepare or print
output from the simulation.  Three kinds of output are handled.  The first is
the standard WASP dump of select variables to a save file at fixed intervals.
Eight variables are dumped for "System 1":  total chemical concentration
(mgc/Lip), dissolved chemical concentration (mgc/l^) , sediment-sorbed chemical
concentration (mgc/kgs), biosorbed chemical concentration (ugc/gb), chemical
fraction dissolved, chemical fraction sediment-sorbed, chemical mass in seg-
ment (kg), and chemical mass lost through volatilizatiog or burial (kg).
Eight more variables are dumped for "System 2":  total sediment concentration
(rngs/I^), segment depth (ft), the total transformation rate (per day),  the
photolysis rate, the hydrolysis rate, the biodegradation rate,  the oxidation
rate, and the volatilization rate (all specific rates in units  of per hour).

     The second kind of output is event-triggered.  When the total chemical
concentration exceeds a reference value at a selected segment,  total chemical
concentrations are printed for every segment every 3 hours until the concen-
tration again falls below the reference.

     The third kind of output is the dump of chemical and sediment concentra-
tions at a selected water segment (and its top benthic segment) to a save
file every 3 hours.  This file is processed by TOXIPREQ after the simulation
to yield statistical information, including a cumulative frequency table.
Concentrations analyzed include total chemical, dissolved chemical, sediment-
sorbed chemical, and biosorbed chemical.
TOXIFREQ (now designated FREQ)

     After completion of the simulation, TOXIFREQ processes a file of chemi-
cal concentrations at a water and a benthic segment,  producing statistical
tables.  A save file of concentrations written every 3 hours by TOXIDUMP is
first ordered by TOXIORDR.  Next, the statistics are  computed, including
minimum, maximum, and mean; various percentiles; standard deviation,-  skew-
ness; and kurtosis.  This table is printed, then a cumulative frequency table
is prepared, with concentrations corresponding to ascending even probability
values (0.0, 0.02, 0.04,..., 0.98, 1.00).  This table is printed, and a plot
file is prepared.
3.3.4.4  Overlay Structure—

     The size and structure of the WASP program mandated the use of an
overlay structure.  The overlay procedure facilitated implementation on
the personal computer and small mainframe environment.

     The purpose of the WASP overlay structure is to insert only the needed
portions of the model into memory during simulation,  when code is no longer
needed, it will be replaced with new required code.   Figures 57, 58, and 59
illustrate the overlay structure for WASP3,  EUTRWASP, and TOXIWASP, respec-
tively, in a PC environment.

                                    355

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                 MAIN  WERR  WMESS  SETCA  SETRA  SETXA
                  SETIA   SCALP  FMTER  BRKERR  FILEOC
           CHRDEC CHRDIG
                            EULER DERIV TOPT
                            WASPS WAS8A
           -WASP1
           -WASP2
           -WASP3
           -WASP4-WAS4A
           -WASPS
           -WASP6-WAS6A
           -WASP7
           -WASP9
           -WAS1 0
           -WAS1 1
-DHYD1
-DHYD2
-SWFLOW
-WAS1 2-WA1 2A
-TINIT
-WAS1 3
-WAS1 4
-WASPB
                -WAS1 6
                -WAS1 7
                -WAS1 9
-PLOT
-BLKPLN
-STR
Figure 57.  PC overlay  structure for WASP3.
                                   356

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                   MAIN  WERR  WMESS  SETCA  SETRA  SETXA
                    SETIA  SCALP   FMTER  BRKERR  FILEOC
             CHRDEC CHRDIG
                             EULER DERIV TOPT
                             WASPS WAS8A
             -WASP1
             -WASP 2
             -WASP 3
             -WASP4-WAS4A
             -WASPS
             -WASP6-WAS6A
             -WASP7
             -WASP9
             -WAS1 0
             -WAS1 1
                 -WAS1 6
                 -WAS1 7
                 -WAS1 9
-DHYD1
-DHYD2
-SWFLOW
-WAS1 2-WA1 2A
-TIN IT
-WAS1 3
-WAS1 4
-WASPB
   *
-PLOT
-BLKPLN
-STR
                                  -EU03IN
                                  -EU03DU
                                  -EU03SX
                                  -EU03S1
                                  -EU03S2
                                  -EU03S3
                                  -EU03S4
                                  -EU03S5
                                  -EU03S6-EU03K2
                                  -EU03S7
                                  -EUO 3S8
Figure 58.  PC  overlay structure for  EUTRWASP.
                                    357

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                  MAIN WERR  WMESS  SETCA  SETRA  SETXA
                   SETIA   SCALP  FMTER  BRKERR  FILEOC
            CARDEC  EHRDIG
                             EULER DERIV TOPT
                             WASPS WAS8A
            -WASP1
            -WASP2
            -WASP3
            -WASP4-WAS4A
            -WASPS
            -WASP6-WAS6A
            -WASP7
            -WASP9
            -WAS1 0
            -WAS1 1
                    *
                 -WAS1 6
                 -WAS1 7
                 -WAS1 9
-DHYD1
-DHYD2
-SWFLOW
-WAS1 2-WA1 2A
-TINIT
-WAS1 3
-WAS14
-WASPB
   *
-PLOT
-BLKPLN
-STR
                                 -INIT
                                 -TOXIDU
                                 -SETTLE
                                 -SEDWAT
                                 -FIRORD
                                   -PHOT01
                                   -VOLAT
                                   -REDX
Figure 59.  PC overlay  structure for TOXIWASP.
                                    358

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                                  APPENDIX A


                           Symbols for Section 1 .2




A    =    cross-sectional area, ft2.

                                         o
af   =    frictional acceleration, ft/sec .


a  £ =    gravitational acceleration, ft/sec .


A^   =    regression coefficients for tidal heights, ft.


A    =    surface area, ft^.


a  . =    wind stress acceleration along axis of  channel, ft/sec .


b    =    width, ft.


Cjj   =    drag coefficient (= 0.0026) , unitless.


g    =    acceleration of gravity = 32.2 ft/sec^.


H    =    water surface elevation, head, or height above an arbitrary

          datum, ft.


i    =    channel or link number, unitless.


l^   =    length of channel i, ft.


n    =    Manning roughness coefficient (usually  between 0.01  and 0.10),
          sec.m~1/3.
Q    =    flow,


R    =    hydraulic radius (approximately equal to the depth) ,  ft.


S    =    water surface slope, ft/ft.


t    =    time, hr or sec.


T    =    the boundary shear stress, Ib /ft-sec^.


U    =    velocity along the axis of channel,  ft/sec.


U    =    the water velocity (magnitude = U, direction = 9),  ft/sec.


                                    359

-------
Ui   =    velocity in channel i, ft/sec.




U^   =    the velocity in channel i at time t, ft/sec.




v    =    water volume, ft^.
 Vf



W    =    the wind speed (relative to the moving water surface) measured


          at a height of 1 0 meters above water surface, ft/sec.
              observed wind velocity at a stationary location, ft/sec.




x    =    distance along axis of channel, ft.




y    =    tidal elevation above or below the model datum, ft.




y^   =    mean depth of channel i, ft.




At   =    the time step, sec.




Ax^  =    the channel length, ft.




p    =    the density of air, lbm/ft .




oj    =    tidal frequency, 2tf/ tidal period, hr~1 .
                                    360

-------
                                  APPENDIX B

                           Symbols for Section 1.3


A         =    cross-sectional area, L2.

C         =    concentration of the water quality constituent, ML~^.

Ex,Ey,Ez  =    longitudinal, lateral, and vertical diffusion coefficients,
L         =    length units.

i         =    length of the segment, L.

M         =    mass units.

Q         =    volumetric flow = A  . U  . L3T~1 .
                                      X

Qji       =    flow, defined as positive when leaving segment j , and negative
               when entering j,
R         =    dispersive flow = E.A,
                                  X,

SB        =    boundary loading rate (including upstream, downstream, benthic,
               and atmospheric) , ML~^T~1 .

SK        =    total kinetic transformation rate; positive is source, negative
               is sink, ML~^T~^ .

S,        =    direct and diffuse loading rate, ML  T~1 .

S™        =    total source/sink rate = SL + SB + SK, ML^T"1 .

T         =    time units.

t         =    time, T.

U ,U ,U   =    longitudinal, lateral, and vertical advective velocities, LT~1 .
 x  y  z

V.        =    volume of segment j = A- . JL , L^.

W.        =    point and diffuse loads = V-S, •  , MT~1 .
 D                                        J -ijj

                                    361

-------
At        =    the time step,  typical  between  15 minutes and a half day, T.




v         =    numerical weighting factor between 0 and 1, unitless.
                                    362

-------
                                  APPENDIX C

                           Symbols for Section 1.4


A..       =    cross-sectional area between segments i and j, ft2.

aNQ       =    nitrogen to carbon ratio, mg N/mg C.

a,*/} c     =    oxygen to carbon ratio for nitrate uptake, mg C>2/mg C.
   3

aoc       =    the oxygen to carbon ratio, mg 02/mg C.

aQN       =    oxygen to nitrogen ratio, mg (>2/mg N.

ap£       =    phosphorus to carbon ratio, mg P/mg C.

bl        «•    benthic layer, unitless.

BODU5     =    ratio of the ultimate to 5-day carbonaceous biochemical
               oxygen demand, unitless.

          =    the internally computed 5-day CBOD, mg/L.

          =    constituent concentration advected between i and j, mg/L.

CJ        =    concentration of the water quality constituent in segment
               j, mg/L.

Cl        =    chlorides concentration, mg/L.

Cpi,Cpj   =    the particulate material concentrations in the benthic
               layer and water column respectively, mg/L.

          =    concentration of phosphorus sorbed to suspended solids,
               mgP/Kg SS.
cwi'('wi   =    **ie dissolved concentrations in the benthic interstitial
               waters and overlying water column respectively, mg/L.

DIP, DIN  =    available nutrients for growth, dissolved inorganic
               phosphorus (orthophosphate) and dissolved inorganic
               nitrogen (ammonia plus nitrate), mg/L.
                                    363

-------
DIP1
D0sat
Eij

f


fDIP

fDOP

fNH
the new dissolved inorganic phosphorus resulting from the
previous integration step, mg/L.

dissolved oxygen saturation, mg C>2/1 .

death rate, day'1.

the natural logarithm = 2.71828, unitless.

the diffusive exchange rate between dissolved concentrations
in the interstitial water and the overlying water column,
f t2/day.
                                  r\
diffusive exchange coefficient, cm /day.

dispersion coefficient between segments i and j, m

fraction of daylight, unitless.

the dissolved inorganic phosphorus pool, unitless.

the dissolved organic phosphorus pool, unitless.

the ammonia nitrogen pool, unitless.
 pOP
 pwc
G(N)
 1max

H
(or d in
Figures)
the organic nitrogen pool, unitless.

the fraction of the total inorganic phosphorus assigned to
the sorbed or particulate phase, unitless.

the particulate organic phosphorus pool, unitless.

fraction particulate inorganic phosphorus, unitless.

the light attenuation factor given by G(I) = g(I,f ,H,ke),.
unitless.

the nutrient limitation factor given by G(N) =
g(DIP,DIN), unitless.

specific phytoplankton growth rate, day"  .

maximum Specific Growth Rate @ 20°C, day"1.

the total water column depth, ft.
               benthic layer depth, ft.

               depth of the j   segment, ft.

                                    364

-------
I         =    incident solar radiation, ly/day.

Ia        =    the average daily solar radiation, ly/day.

Io        =    the incident light intensity at the surface, ly/day.

Io(t)     =    instantaneous surfae solar radiation, ly/day.

k         =    reaeration rate @ 20°C, day"1.
 3.

K-j       =    reaeration rate coefficient at 20°C, day.
 aJ
K=-i(T)    =    reaeration rate coefficient at ambient segment temperature,
  D            day-1.

KBOD      =    half saturation constant for oxygen limitation, mg O2/L.

Kc        =    phytoplankton self-light attenuation; the extinction
               coefficient per unit of chlorophyll, m^/mg chlorophyll-a.

kd        =    deoxygenation rate @ 20°C, day"1.

kjjg       =    organic carbon (as CBOD) decomposition rate, day" .

K         =    extinction or light attenuation coefficient, ft"1 .
 G

K@        =    the total extinction coefficient, computed from the sum
               of the non-algal light attenuation, K , and the self-
               shading attenuation due to ambient phytoplankton population,
               ft-1.

          =    half saturation constant for nitrogen, yg N/1 .

          =    half saturation constant for phosphorus, pg p/1 .

          =    half saturation constant for phytoplankton limitation,
               mg C/£ .

          =    half saturation constant for oxygen limitation, mg

          =    Michaelis constant for denitrification, mg 02/& •


k_ND      =    organic nitrogen decomposition rate, day"1.

k_,kw     =    first order reaction rates associated with the particulate
               and dissolved phases respectively, day"1.

Kpjp      =    partition coefficient for particulate phosphorus, mgP/Kg SS.

kpzD      =    anaerobic algal decomposition rate, day"1.


                                    365

-------
k_..      =    the effective algal settling or loss rate,  day~1.
 s i j

kiD       =    a non-predatory death rate,  representing the effect of
               parasitization, day~1.

k1R       =    algal endogenous respiration, day" .

k1R(T)    =    the algal respiration rate at 20°C, the temperature at
               which the field samples were incubated, day"1.

k1R(20°)  =    the endogenous respiration rate at 20°C, day"1.

k58       =    dissolved organic phosphorus mineralization at 20°C, day"1.

          =    particulate organic phosphorus mineralization rate at
               20°C, day-1.

          =    denitrification rate § 20°C, day""1.

          =    organic nitrogen mineralization rate @ 20°C, day"1.

*1314     =    nitrification rate § 20°C, day"1.

Jlji        =    characteristic mixing length between segments i and j, ft.

Pc        =    the phytopiankton biomass in carbon units,  mg/L.

PIP1      =    the sorbed inorganic phosphorus resulting from the previous
               integration step, mg/L.

Pj        =    phytoplankton population, cells/A .

Qji        =    advective flow between segments i and j, defined as
               positive when leaving segment j, and negative when
               entering, ft3/hr.

R..        =    dispersive flow between segments i and j, ft3/hr.

S         =    concentration of suspended solids, Kg/L.

          =    kinetic transformations within segment j, mg/L/day.

S-jj        =    reaction term, cells/i.day.

t         =    time, hr.

T         =    ambient water temperature, °C.

TIP       =    the total inorganic phosphorus, mg/L.

vs        =    the net settling velocity of particulates across  the
               water column-benthic interface, ft/day.

                                   366

-------
vs
-------
                                  APPENDIX D

                           Symbols for Section 1 .5


A         =    pre-exponential, or "frequency factor", unitless.

A. .        =    benthic surface area, L .

A.•        =    cross-sectional area between segments i and j, L2.
                                               n
A         =    surface area of water segment, L .

BJ        =    concentration of biomass in segment j, kg-biomass/L.

B"        =    concentration of biomass in water in segment j.
               BJ = Bj/n-j, kgb/Lw.

bl        =    benthic layer, unitless.

C         =    chemical concentration, ML~3.

c         =    subscript for chemical, unitless.

          =    concentration of biosorbed chemical in segment j, mgc/L.

          =    concentration of biosorbed chemical in biota in segment j,
               clij = Cbj/Bj ' mgc/kgb.

CG        =    cloud cover, tenths of sky (1-10).

C. •        =    constituent concentration advected between i and j, ML"3.

C-j        =    concentration of total chemical in segment j, mgc/L.

<'PO4      =    dissolved inorganic phosphorus concentration, yg/L.

C1        =    sorbed chemical concentration, MM~1  ,.   ..

Cs-j        =    concentration of sorbed chemical in segment j, mgc/L.

Cg.;        =    concentration of sorbed chemical on sediment in
               segment j.  Cgj = CSj/Sj , mgc/kgs.

C1        =    dissolved chemical concentratin, ML    .   .


                                    368

-------
GWJ       =    concentration of dissolved chemical in segment j , mgc/L.

CJfi       =    concentration of dissolved chemical in water in segment j
               cwj = cwj/nj' mgc/L,,.

D         =    average depth of the water segment, m.

d         =    optical path, cm/cm.

dp        =    particle diameter, mm.

Ea        =    Arrhenius activation energy, kcal/mole.

K- _      =    diffusive exchange coefficient, cm /sec.

Eji       =    dispersion coefficient between segments i and j, such as
               cm^/sec, m^/hr, or
          =    the intensity of environmental property affecting process
               "k" , such as light intensity or bacterial population.

fB        =    fraction of population actively degrading organic
               compound, unitless.

^ocB      =    organic carbon fraction of biomass, unitless.

focs      =    organic carbon fraction of sediment, unitless.

frfcl      =    fraction particulate in the sediment layer, unitless.

fip        =    the spatially variable proportionality constant between pore
               water dispersion and sediment mixing (0-1), unitless.

g         =    acceleration of gravity = 981 cm/sec2.

H         =    Henry's Law constant, atm-m^/mole.

h         =    benthic layer depth, ft.

i         =    benthic segment, unitless.

I ,        =    average light intensity of wavelength k, E/cm^-sec.

I         =    average light intensity within water segment, E/cm^-sec.

I         =    surface light intensity, E/cm^-sec.

j         =    water segment, unitless.

^a'^b     =    specific acid and base catalyzed rate constants, respectively/
               molar"1 . hr~1 .
                                    369

-------
ka^       =    specific sunlight absorption rate for phase i,  E/mole-hr
               or (E/L)/(mole/L)/hr.

KQ^       =    net biodegradation rate constant in benthic segment,  hr™1.

KB        =    net biodegradation rate constant in water segment, hr"1.

k,        =    desorption rate constant, hr~1 .

Ke        =    spatially variable light extinction coefficient, m~1.

K,,        =    net hydrolysis rate constant,  hr~1 .

kp        =    second order biodegradation rate constant for phase i
               in benthic segments, ml/cell-hr.

kg        =    second order biodegradation rate constant for phase i
               in water segments, ml/cell-hr.

k^        =    second order oxidation rate constant for chemical phase  i,
               L/mole-hr.

k^        =    secnd-order rate constant for process k.

k         =    neutral rate constant, hr~1 .

K         =    net oxidation rate constant, hr"1.

KQC       =    organic carbon partition coefficient, (l^/kg^).

          =    organic phospho'rus decomposition rate, day" .

          =    temperature corrected reaeration velocity, m/hr.

Kpg       =    partition coefficient of chemical on biomass, I^/kgb.

KpQ       =    first order photolysis rate coefficient at reference light
               intensity, hr~1.

Kps       =    partition coefficient of chemical on sediment in segment j,


K         =    net volatilization rate constant,  hr  .

kv        =    conductivity of the chemical through the water segment,
               m/hr.

          =    reaeration velocity at 20°C, m/hr.

[L]       =    fraction of reference light IG in segment (Ijn/Ic)' unitless.

Lc        =    latitude correction factor, calculated internally, unitless,

                                     370

-------
A.J_J       =    characteristic mixing length between segments i and j, ft.

MW        =    molecular weight of the compound, g/mole.

n..       =    average porosity o segments i and j, L:L.  L  .
 In
nj        =    porosity or volume water per volume segment j ,

p         =    sediment wet weight to dry weight ratio, M (sediment +
               water), M~1 (sediment).

          =    bacterial population density in segment, cell/ml.

P^        =    transformation product for process k, unitless.

Q-ji       =    advective flow between segments i and j , defined as
               positive when leaving segment j , and negative when
               entering, L^T""1 .

Q  .       =    pore water flow generated by sediment compaction, L^T~1 .

Q         =    pore water flow from compaction, L^T~1 .

Qips       =    "Q-10" temperature correction factor for biodegradation
               in benthic segments, unitless.

QTw       =    "Q-10" temperature correction factor for biodegradation
               in water, unitless.

R         =    ideal gas constant = 8.206 x 10"^ m3-atm/mol°K.

RQ..      =    pore water diffusive exchange flow, L T~ .

RQ        =    gas phase resistance,  hr/m.

R. .       =    dispersive flow between segments i and j, L T~1 .

RL        =    liquid phase resistance, hr/m.

[RC^l     =    molar concentration of oxidant, moles/L.

S         =    sediment concentration, ML~3.

s         =    subscript for sediment, unitless.

S?        =    sediment concentration per unit pore water, ML~ .

Sj        =    concentration of sediment in segment j , kgs/L.

S         =    concentration of sediment in segment j , mgs/L.
                                    371

-------
Sj        =    concentration of sediment in water in segment j,
               Sj = Sj/n-j,
S,.       =    kinetic transformations within segment j ,  ML~^T~1 .

T         =    ambient temperature in segment, °C.

t         =    time, T.

T. .       =    sediment turnover rate, MT~1 .

t.,       =    average tortuosity of benthic segments i and j , L  .    L~1
 ij                                                             Welter

t..       =    average tortuosity of segments i and j, L  fc  L~1 .

Tfc        =    water temperature, °K.

V         =    volume of the water segment, m3.

V         =    average segment velocity, ft/sec.

V-        =    volume of segment j, L .

Vs        =    Stokes velocity for particle with diameter dp and density
               pp, m/day.

W         =    wind speed at 10 cm above surface, m/sec.

W         =5    time-varying windspeed at 1 0 cm above surface, m/sec.

WAT       =    water vapor exchange velocity, m/hr.

Wfi.       =    boundary loads into segment j , MT  .

we        =    water column subscript, unitless.

W-.        =    deposition velocity, LT  .

WT •       =    point and diffuse loads into segment j , MT~1 .
 VJ
w0        =    scour velocity, LT~1 .
 t\

wsedij    =    sediment velocity in bed, positive leaving j, negative
               entering j, LT~1 .

wgij      =    settling velocity in water, positive leaving j, negative
               entering j, LT~1 .

Wz        =    wind speed at height z, m/sec.

Yfc        =    yield coefficient for process k, unitless.
                                    372

-------
z         =    measurement height, m.

a^        =    fraction of chemical in phase i, unities.

Op        =    probability of deposition upon contact with the bed,
               unitless.

a.j        =    dissolved fraction of the chemical, unitless.

a1fa2,oi2  =    fraction of chemical in each phase, unitless.

£fc        =    molar absorptivity of wavelength k, m 10-L/cm . mole.

eOPD      =    temperature coefficient, unitless.

P         =    absolute viscosity of water = 0.01 poise (g/cm2-sec)
               at 20°C.

v         =    numerical weighting factor, 0-0.5, unitless.

PB        =    bulk density, kg (sediment and water)/L.

Ps        =    sediment density * 2.7 kg/Ls.

Pw        =    water density a 1  kg (water)/Lw.

<|>£       =    reaction yield fraction for chemical in phase i, unitless,.
                                    373

-------
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