ORNL
Oak Ridge
National'
Laboratory
Operated by
Martin Marietta Energy Systems, Inc.
for the Department of Energy
Oak Ridge, Tennessee 37831
ORNL-6041
United States
Environmental Protection
Agency
Office of Toxic Substances
Washington, DC 20460
EPA-560/5-83-024
June 1984
Toxic Substances
User's Manual for
TOX-SCREEN:
A Multimedia Screening-Level
Program for Assessing the
Potential Fate of Chemicals
Released to the Environment
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thereof
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UPl'S-TECHNICAL INFORMATION CENTER
ORNL-6041
EPA-560/ 5-83-024
USER'S MANUAL FOR TOX-SCREEN: A MULTIMEDIA SCREENING-LEVEL PROGRAM FOR
ASSESSING THE POTENTIAL FATE OF CHEMICALS RELEASED TO THE ENVIRONMENT
D. M. Hetrick
Computer Sciences Division
L. M. McDowell-Boyer
\ Health and Safety Research Division
~^ Oak Ridge National Laboratory
V^ Oak Ridge, Tennessee 37831
Date Published - June 1984
Prepared for
Office of Toxic Substances
U.S. Environmental Protection Agency
Washington, D.C. 20460
-•".,:' ^1^,
Prepared by the
OAK RIDGE NATIONAL LABORATORY
Oak Ridge, Tennessee 37831
operated by
MARTIN MARIETTA ENERGY SYSTEMS, INC.
for the
U.S. DEPARTMENT OF ENERGY
under
Contract No. DE-AC05-840R21400
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DISCLAIMER
This document has been reviewed and approved for publication by the
Office of Toxic Substances, D. S. Environmental Protection Agency.
Approval does not signify that the contents necessarily reflect the views
and policies of the Environmental Protection Agency, nor does the mention
of trade names or commercial products constitute endorsement or
recommendation for use.
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TABLE OF CONTENTS
Page
LIST OF ILLUSTRATIONS v
ACKNOWLEDGMENTS vii
ABSTRACT 1
1. INTRODUCTION 3
2. MODEL DESCRIPTION 5
2.1 ATMOSPHERIC DISPERSION 6
2.1.1 Point Sources 6
2.1.2 Area Sources 6
2.2 AQUATIC DISPERSION 7
2.2.1 Rivers 7
2.2.2 Lakes 7
2.2.3 Estuaries 8
2.2.4 Oceans 8
2.3 DISPERSION IN SOIL 9
2.4 INTERMEDIA TRANSPORT 9
2.5 BIOACCUMULATION 11
3. STRUCTURE OF THE TOX-SCREEN PROGRAM 13
3.1 SUBROUTINE STRUCTURE 13
3.2 USER OPTIONS 15
3.3 ADAPTATION OF THE SESOIL MODULE 16
3.3.1 Changes to SESOIL Subroutine MAIN 17
3.3.2 Changes to SESOIL Subroutine RFILE 17
3.3.3 Changes to SESOIL Subroutine LEVEL3 18
3.3.4 Changes to SESOIL Subroutine HYDROM 18
3.3.5 Changes to SESOIL Subroutine TRANS3 18
3.4 TOX-SCREEN SUBPROGRAM DESCRIPTIONS 19
3.4.1 Subroutine READIN 20
3.4.2 Subroutine SEDCON 20
3.4.3 Subroutine FUNLAU 21
3.4.4 Function SPLEVA 21
3.4.5 Subroutine ALPHA 21
ILL
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3.4.6 Subroutine AIR 22
3.4.7 The D01AJF Package 23
3.4.8 Function DEPAVG 24
3.4.9 Function CAVGE .- 24
3.4.10 Subroutine WATER 24
3.4.11 Subroutine BIOCHN 25
3.4.12 Subroutine OUTPUT 25
4. TOX-SCREEN OPERATION 27
4.1 MODE OF OPERATION 27
4.2 INPUT DATA FILES 29
4.2.1 SESOIL Input 32
4.2.2 Model Flags 33
4.2.3 Air Parameters 34
4.2.4 Water Parameters 34
4.2.5 Bioaccumulation Parameters 35
5. DESCRIPTION OF CODE OUTPUT 57
5.1 OUTPUT FROM SESOIL PORTION OF TOX-SCREEN 57
5.2 OUTPUT OF TOX-SCREEN INPUT DATA AND ERROR MESSAGES. . 58
5.3 OUTPUT WHEN WATER BODY IS A LAKE 59
5.4 OUTPUT WHEN WATER BODY IS A RIVER 60
5.5 OUTPUT WHEN WATER BODY IS AN ESTUARY 61
5.6 OUTPUT WHEN WATER BODY IS AN OCEAN 61
5.7 FOOD CHAIN BIOACCUMULATION OUTPUT 61
5.8 OUTPUT WHEN NO WATER BODY IS CONSIDERED 62
6. DISCUSSION 65
7. REFERENCES 67
APPENDIX A: IMPORTANT PARAMETERS AND THEIR DEFINITIONS. ... 69
APPENDIX B: JOB CONTROL LANGUAGE TO RUN TOX-SCREEN ON IBM
3033 COMPUTER 113
APPENDIX C: SAMPLE INPUT DATA 117
APPENDIX D: SAMPLE OUTPUT FORMAT 127
APPENDIX E: LISTING OF TOX-SCREEN (INCLUDES SESOIL PORTION
WHICH HAS BEEN ADAPTED) 149
APPENDIX F: DESCRIPTION OF METHODS USED TO ESTIMATE
BIOACCUMULATION IN FOOD CHAINS 287
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LIST OF ILLUSTRATIONS
Page
Figure 1. Structure of the TOX-SCREEN Program 14
Table 1. Logical Input Device Numbers in TOX-SCREEN 28
Table 2. Logical Output Device Numbers in TOX-SCREEN .... 30
Table 3. SESOIL EXEC Data File Input Sequence 36
Table 4. SESOIL GE Data File Input Sequence 38
Table 5. SESOIL L3 Data File Input Sequence 42
Table 6. Model Flags Parameter Input Sequence 46
Table 7. Air Parameters Input Sequence 48
Table 8. Water Parameters Input Sequence 50
Table 9. Bioaccumulation Parameters Input Sequence 56
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ACKNOWLEDGMENTS
This project was sponsored by the Office of Pesticides and Toxic
Substances, U. S. Environmental Protection Agency, under two Interagency
Agreement Numbers, EPA-79-D-X0856 and EPA-AD-89-F-1-399-0. Funding for the
first Interagency Agreement came from the Modeling Team Exposure Evaluation
Division with W. P. Wood (team leader) as the Task Manager and W. Farland
from the Office of Toxic Substances as the Project Officer. Funding for
the second Interagency Agreement came from the Exposure Evaluation Division
with J. G. Lefler as Project Officer. Also, advice and support were
received from the Exposure Evaluation Divison staff members A. I. Nold and
R. S. Kinerson. We are very grateful for their encouragement, suggestions,
and assistance during the course of this project.
Helpful comments and suggestions were received from M. R. Patterson
(Computer Sciences, ORNL) and J. E. Breck (Environmental Sciences Division,
ORNL), who reviewed this report. Also, we are grateful to C. C. Travis for
overseeing the progress of this work as group leader of the Exposure
Analysis Group of the Health and Safety Research Division at ORNL.
Finally, we are very grateful to B. J. Waddell (Computer Sciences,
ORNL) for her assistance and patience in the preparation of this document.
VII
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ABSTRACT
A screening-level multimedia model called TOX-SCREEN has been
developed to assess the potential fate of toxic chemicals released to air,
surface water, or soil. Four types of surface water bodies are considered:
lakes, rivers, estuaries, and oceans. TOX-SCREEN was developed at the
request of the U.S. Environmental Protection Agency (USEPA) to provide a
means by which chemicals classified under Section 4 of the Toxic Substances
Control Act (TSCA) can be rapidly evaluated with respect to their potential
for accumulation in environmental media. The model is simplified in nature
and is intended to be used as a screening device to identify chemicals that
are unlikely to pose problems even under conservative assumptions.
The purpose of this report is to provide a user's manual for the
FORTRAN IV computer code, TOX-SCREEN, which implements the multimedia
model. A brief description of the model'assumptions and structure is
included. The structure of the TOX-SCREEN program and individual
subroutines are described in detail. Input to and output from the code are
thoroughly explained. Parameter definitions, sample job control language,
sample input data, output from TOX-SCREEN using the sample input data, and
a listing of the program are provided in appendixes. Also, methods for
estimating bioaccumulation in food chains, added recently to TOX-SCREEN,
are documented in an appendix.
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1. INTRODUCTION
A screening-level multimedia model has been developed to assess the
potential for human exposure to chemicals released to air, surface water,
or soil. This model was developed at the request of the U.S. Environmental
Protection Agency (USEFA), Office of Toxic Substances, as a part of their
endeavor to fulfill regulatory responsibilities under the Toxic Substances
Control Act of 1976. A document describing the model assumptions,
mathematical structure, and overall framework was recently published
(McDowell-Boyer and Hetrick, 1982). The purpose of the present report is
to provide a user's manual for the computer code, TOX-SCREEN, which
implements the multimedia model.
The computer code (machine readable program) for TOX-SCREEN is
available from the Office of Toxic Substances, Exposure Evaluation
Division, where the master code is maintained and where all changes to the
program are documented. User support is also provided by the Office of
Toxic Substances.
The TOX-SCREEN computer code is written in the FORTRAN language. The
program has separate modules and related subroutines for calculating
results in the air, water, and soil media, yet allows intermedia transport
of chemicals. Likewise, separate input data files are needed for each
media. That is, the code is not interactive in that it does not prompt the
user for information during execution, but reads all the data from input
files. Once the input data are compiled, the TOX-SCREEN program can be run
with ease by executing it directly from a computer terminal or by
submitting it with the proper job control language (JCL) to a computer.
Before describing the subroutine structure and individual modules of
TOX-SCREEN in detail (Section 3), a brief description of the model
assumptions and structure is given in this document (Section 2). In
Section 4, details concerning the mode of operation of the code, the input
sequence, and input format are provided, followed by a description of code
output in Section 5. A discussion summarizing the information in this
report is then provided in Section 6. Appendix A of this report provides a
table of input parameters and other important parameters that are used
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frequently in the program and their definitions, to allow the user quick
access to this information. A listing of the JCL needed to submit TOX-
SCREEN for execution on the ORNL IBM 3033 computer is given in Appendix B.
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2. MODEL DESCRIPTION
Because TOX-SCREEN is proposed as a screening tool for evaluating
chemicals with respect to their human exposure potential, the model is
simplified to minimize user input requirements and is overpredictive
(conservative) in nature for many aspects of chemical transport. To
facilitate use of the model for a large number of assessments in a
relatively short period of time, a number of simplifying approaches to
model development were adopted. First, in order to minimize data
collection for users, a generic approach to simulating pollutant transport
in the environment was taken. The model assumes a generic positioning of
surface water bodies relative to atmospheric pollutant sources and
contaminated land areas. It also makes use of data that are typical of
large geographic regions or of the entire United States, rather than site-
specific data. Second, equations used in TOX-SCREEN were selected to
achieve a balance between simplicity and flexibility believed to be
necessary to fulfill user needs. Conservatism is achieved to varying
degrees depending on generic values assigned to various parameters but is
ensured to some extent by model structure.
The multimedia nature of TOX-SCREEN requires that physical/chemical
processes which drive transport of chemicals across air-water, air-soil,
and soil-water interfaces be simulated. Such media interactions are
handled explicitly in the model in most cases, with the use of deposition
velocities, transfer rate coefficients, and mass loading parameters.
Monthly pollutant concentrations in air, surface water, and soil reflect
both direct input to any or all of the media from a specified source(s) and
subsequent interaction via processes such as volatilization, atmospheric
deposition, and surface runoff. The user must select the types of water
bodies (i.e., river, lake, estuary, or ocean), if any, to be considered in
any given simulation, as well as specify whether the pollutant is directly
released to air or water and/or directly applied to soil. A brief
discussion of methods employed to simulate atmospheric and aquatic
dispersion of chemicals, their dispersion in soil, and intermedia transport
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in TOX-SCREEN is provided below. More detail, and the equations pertinent
to these topics, are given in McDovell-Boyer and Hetrick (1982) and
Appendix F of the present report.
2.1 ATMOSPHERIC DISPERSION
2.1.1 Point Sources
A modification of the original Gaussian plume equation of Pasquill
(1961) is adapted in TOX-SCREEN for use in estimating downwind
concentrations of a particular chemical emitted from a point source.
Modifications to the basic equation were made such that the TOX-SCREEN
model considers plume depletion due to wet and dry deposition processes,
gravitational settling, and chemical degradation. Also, provisions were
made to allow calculation of sector-averaged concentrations for
predetermined sector width and user-specified sector length, as well as the
downwind maximum centerline concentration.
Sector-averaged and maximum ground-level atmospheric concentrations
are calculated on a monthly average basis, assuming a constant Pasquill
Stability Category D (i.e., neutral conditions). Although this assumption
would not necessarily constitute worst-case conditions, the additional
assumption that the wind direction is constant throughout the model
application time period, in the direction of maximum concentration, does
incorporate conservatism into the overall calculation.
2.1.2 Area Sources
A simple urban diffusion model (Gifford and Hanna, 1973; Hanna, 1977)
has been adopted for use in estimating ground-level pollutant
concentrations over area sources. Concentrations are calculated as a
function of stability (again assumed to be neutral), area size, source
strength and wind speed. Chemical degradation is handled by applying a
first-order exponential term to the calculated concentration. Depletion of
the air concentration due to deposition is not handled in the area source
model. Indications are that consideration of deposition will not
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significantly affect the calculated concentrations in light of
uncertainties associated with the model predictions (McDowell-Beyer and
Hetrick, 1982).
2.2 AQUATIC DISPERSION
2.2.1 Rivers
For dispersion in rivers, the user must select the number and size of
reaches to be simulated, with the restriction that each must be considered
geometrically equivalent (i.e., same length, width, and depth) and have the
same flow rate. The purpose of breaking the river up into reaches is thus
to allow estimation of concentration at various points downstream of a
source term.
An equation similar to the USEFA EXAMS model equation (Smith et al.,
1977; Burns et al., 1982) is used to estimate the monthly pollutant mass in
each reach. The equation is based on the assumption of complete and
instantaneous mixing in each reach upon introduction of a pollutant.
Monthly pollutant concentrations are calculated by dividing the
pollutant mass by the reach volume. The concentrations are reported as
dissolved neutral, dissolved ionic, and adsorbed forms, in accordance with
chemical equilibria considerations. To estimate adsorption onto sediment,
the concentration of the suspended sediment is either required as input or
estimated according to Laursen's formula (Laursen, 1958).
2.2.2 Lakes
The same mass balance equation used for rivers (i.e., the EXAMS
approach) is applied to lakes in TOX-SCREEN, again necessitating the
assumption of complete and instantaneous mixing. Concentrations are
calculated for the dissolved neutral, dissolved ionic, and adsorbed forms
based on lake volume and chemical equilibria. Suspended sediment
concentrations in lakes are required as input, when at all possible. In
lieu of appropriate data, however, a means of estimating a lake sediment
concentration from the suspended sediment concentration in a tributary is
provided.
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2.2.3 Estuaries
A one-dimensional steady-state model that assumes constant cross-
sectional area (A), a constant tidally and sectionally averaged
longitudinal dispersion coefficient (E^), and a constant fresh water
velocity (v,) is used for simulating dispersion of pollutants in estuaries.
The model is documented as acceptable to predict radionuclide transport for
releases of long duration (i.e., long with respect to time to achieve
steady state) in the U.S. Nuclear Regulatory Commission's (USNRC)
Regulatory Guide 1.113 (USNRC, 1977).
Pollutant concentrations of the dissolved neutral, dissolved ionic,
and adsorbed forms are again computed. The estuary is broken up into
"reaches" representing variable distances up- and downstream of the source
in order to observe concentration gradients. Suspended sediment
concentrations in estuaries must be input by the user.
2.2.4 Oceans
A steady-state Gaussian-type linear diffusion model is used to
estimate dispersion of pollutants potentially discharged to ocean coastal
waters (Brooks, 1960). Models of this type are recommended in the USNRC
Regulatory Guide 1.113 (USNRC, 1977) when detailed descriptions of the
field of predicted concentrations are not required. The ocean dispersion
model chosen is that described by Brooks (1960) for diffusion of sewage
effluents. Critical assumptions include offshore discharge via an outfall
terminating in a multiple-point diffuser, movement of the resulting
pollutant field at the same rate as the prevailing current, negligible
vertical and longitudinal mixing and steady flow.
The centerline concentration on the ocean shelf will, of course,
decrease as a function of distance out from the diffuser. The user may
choose any number of distances to calculate concentration. Pollutant
concentrations of dissolved neutral, dissolved ionic, and adsorbed forms
are output. Suspended sediment concentrations for ocean shelves must be
input by the user.
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2.3 DISPERSION IN SOIL
At the request of EPA, the TOX-SCREEN model employs the Arthur D.
Little (ADL) SESOIL model (Bonazountas and Wagner, 1981) to estimate
concentrations of a pollutant in the soil media following introduction via
direct application and/or interaction with other media (i.e., deposition
from air). In this model, simulated hydrologic processes, volatilization,
and erosion by wind all serve to transport- the pollutant from its point of
introduction (i.e., to the upper, middle, or lower region of a soil column)
through the column to other media. The SESOIL model is statistical and
seasonal, with respect to the hydrologic cycle, and provides estimates of
pollutant distributions within the soil column on an annual or monthly
basis, although a provision is reportedly made for storm-by-storm
simulations (Bonazountas and Wagner, 1981). At present, the SESOIL model
does not address pollutant movement in saturated groundwater.
Output of the SESOIL model includes pollutant concentrations in the
soil water (yg/ml), soil air (ug/ml), and adsorbed phases (pg/g) in both
the upper, middle, and lower unsaturated soil zones. The amount of
2
pollutant lost from the unsaturated soil zones per unit area (cm ) is
provided in terms of pg lost via surface runoff, percolation to
groundwater, volatilization, biodegradation, chemical degradation, surfac
washload (erosion by water) and resuspension (erosion by wind). Final
equations describing the latter two processes have not been provided in
SESOIL to date, but empirical equations or values for soil erosion
(washload) and dust loading (resuspension) per unit area are used in TOX-
SCREEN until such equations are in place (see McDowell-Boyer and Hetrick,
1982).
2.4 INTERMEDIA TRANSPORT
Processes which serve to transport chemicals across media interfaces
include deposition of airborne pollutants onto water and soil surfaces,
volatilization of chemicals from these surfaces, surface and groundwater
runoff, and soil erosion via water or wind. Deposition is a result of both
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10
dry and wet processes, and is handled in TOX-SCREEN via dry deposition
velocities and washout ratios, respectively.
Volatilization from surface water bodies is estimated in TOX-SCREEN
with a user-supplied volatilization rate constant. A means of estimating
such a rate constant in lieu of empirical data is provided in McDowell-
Boyer and Hetrick (1982). Volatilization from soil is simulated within the
SESOIL code, as is surface and groundwater runoff (the latter term implying
transport into the saturated zone). The net groundwater runoff is assumed
to recharge the adjacent surface water inventory immediately and
completely, because no groundwater storage or retardation of movement is
presently modeled in SESOIL.
Soil erosion may result in transport of chemicals adsorbed to surface
soil, and is handled in TOX-SCREEN with an empirically derived equation
based on annual precipitation (McDowell-Boyer and Hetrick, 1982).
Resuspension may result in enhanced air concentrations of adsorbed
chemicals, and is simulated in TOX-SCREEN with the use of empirical dust
loading values.
In order for the simulation of processes described above to result in
a quantitative assessment of intermedia transport, the relative locations
of the media as well as the size of the contaminated area must be
designated. Such designations are detailed in McDowell-Boyer and Hetrick
(1982). Briefly, if a water body or soil is contaminated from deposition
of a plume (i.e., due to a point source), the contamination area is
delineated in TOX-SCREEN by the shape of the plume which has intercepted
the ground and/or water surface. If contamination occurs from deposition
of a pollutant from an area source, the area(s) of the water body(ies) is
(are) specified by the user and is (are) assumed to be within the total
area.
The location of the contaminated water body or land area relative to
an atmospheric point source is always assumed to encompass the point of
maximum downwind concentration. The approach taken for an area source
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11
dictates a uniform deposition throughout the area specified, such that the
location of the water body within that area is unimportant. However,
contaminated soil areas are always assumed to be adjacent to water bodies
present to maximize subsequent water contamination, whether the initial
contaminating event is due to an atmospheric source or direct application
to the soil.
Whenever a water body (except on coastal waters) is contaminated, the
volatilization process is assumed to contaminate the air directly above the
water body, which is treated as an area source. Likewise, the air above a
contaminated soil area (treated as an area source) is contaminated via
volatilization or resuspension processes.
Media interactions between coastal waters and air or soil, and
interactions between water bodies are not presently considered in TOX-
SCREEN. Therefore, concentrations in oceans reflect only contamination via
direct input from offshore discharge. Furthermore., interactions between
*•
surface or ground water and soil ignore contamination of soil via
irrigation with polluted waters. It may be possible for the TOX-SCREEN
user to consider this latter interaction by determining a direct
application rate for input to the SESOIL module based on knowledge of the
amount of water used in irrigation as well as on the pollutant
concentration in that water.
2.5 BIOACCUMULATION
Methods adopted to estimate bioaccumulation of chemicals in aquatic
organisms, terrestrial food animals, and plants are described in detail in
Appendix F. Briefly, bioaccumulation in aquatic organisms is estimated
via a bioaccumulation factor [BCF(aq)], which is defined as the ratio
between a compound's concentration in an organism to its concentration in
the surrounding water. The bioaccumulation factor is estimated from an
empirically determined relationship between BCF(aq) and the octanol-water
partition coefficient, K . A number of limitations are associated with
this method and are discussed in Appendix F.
Bioaccumulation in terrestrial food animals such as beef cattle is
handled in TOX-SCREEN in a more crude manner due to a poorer correlation
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12
between BCF and K than exists for aquatic organisms. A single numerical
value of log K is used to screen chemicals with respect to their
bioaccumulation potential. Again, limitations imposed by this method are
outlined in Appendix F.
Bioaccumulation in terrestrial plants is estimated in TOX-SCREEN in
two distinct steps: one step is to estimate vegetation concentrations due
to root uptake and another step to estimate concentrations due to direct
interception of depositing chemicals from the air. The root uptake
estimation relies on an empirical relationship between BCF (plants) and the
soil-water partition coefficient (K.). The K. is estimated from the
organic carbon sorption coefficient and the percent organic carbon, both of
which are required input to the SESOIL portion of TOX-SCREEN. The
estimation of bioaccumulation due to interception in TOX-SCREEN is
estimated using a model developed by Chamberlain (1970). The concentration
due to interception is estimated as a function of an empirically determined
initial interception fraction, the vegetative productivity, an empirical
weathering constant, the crop growth period before harvest, and the
deposition rate. The total concentration in vegetation is then determined
in TOX-SCREEN by summing the concentrations due to root uptake and
interception.
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3. STRUCTURE OF THE TOX-SCREEN PROGRAM
This section presents the overall structure of the TOX-SCREEN computer
code and summarizes the user options available in the model. A discussion
of how the SESOIL program (Bonazountas and Wagner, 1981) was adapted for
use in TOX-SCREEN is also given. Descriptions of the TOX-SCREEN
subroutines follow. The listing of the program can be found in Appendix E.
3.1 SUBROUTINE STRUCTURE
TOX-SCREEN consists of 27 routines in all, 15 of which have been
adapted for use from the SESOIL model (Bonazountas and Wagner, 1981). The
remaining 12 routines are called READIN, SEDCON, FUNLAU, SPLEVA, ALPHA,
AIR, DEPAVG, CAVGE, WATER, BIOCHN, OUTPUT and D01AJF, the latter being a
general-purpose integrator package (NAGFLIB, 1981). The SESOIL routines
used are called MAIN (main program), RFILE, LEVEL3, HYDROM, HYDROA, WATCON,
FGAMA, GAMA, FIE, FII, LINT, TRANS3, VOLM, DEPTH, and COMP. The above
subroutines are named according to their functions, and various COMMON
statements and parameter names within the routines are named in such a way
as to be recognized by the user. Figure 1 shows the structure and gives
brief descriptions for the routines of the model. The subroutine BIOCHN
has been added most recently, and the equations coded in this routine are
documented in Appendix F of this report.
As shown in Fig. 1, the MAIN program calls routines RFILE and READIN
to read the input data. MAIN then calls LEVEL3 which coordinates all
activities between the SESOIL routines adapted for the model and the rest
of the TOX-SCREEN subprograms. LEVELS first calls subroutine HYDROM which
collaborates with other SESOIL subprograms (see Fig. 1) to compute the
hydrological parameters (soil moisture, precipitation, infiltration,
evapotranspiration, surface runoff, and groundwater runoff). Next, if a
water body is considered and if sediment concentrations have not been input
by the user, LEVEL3 can call SEDCON, which in turn calls FUNLAU and SPLEVA,
to compute them. Then ALPHA is called by LEVEL3 to compute the ionization
fractions. Up to this point, the program has computed parameters needed
13
-------
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15
Later in solving the major equations of the model. LEVEL3 then calls the
three major routines AIR, TRANS3, and WATER to compute pollutant
concentrations in the air, soil, and water, respectively. Media
interactions in the model are passed from one subroutine to another in a
major "DO loop". Next, LEVEL3 calls BIOCHN which computes the food chain
bioaccumulation. Finally, LEVELS calls OUTPUT to write out the results.
The pollutant cycle equations are formulated on a monthly basis.
However, since all terms with a time-dependent expression in the TOX-SCREEN
model are written with an explicit time step (e.g., see eq. 3-1 in
McDowell-Boyer and Hetrick (1982) and Table PT-5 in Bonazountas and Wagner
(1981)), time steps smaller than one month are used to increase accuracy in
solving these expressions. Inspection of Fig. 1 shows that the hydrologic
processes, the sediment concentrations (in water), the ionization
fractions, and the food chain concentrations are computed only once a
month, in that equilibrium expressions describe the underlying processes in
the model. All other equations in the model are solved using smaller time
steps (presently 10 steps per month). All input parameters to the model
are either constant or monthly values (see Section 4). The output of the
model contains end-of-the-month values of pollutant concentrations for each
media; the monthly results output for intermedia transport processes (e.g.
deposition, volatilization, etc.) represent the summation of results of the
smaller time, steps. More details of the output are given in Section 5.
3.2 USER OPTIONS
Fig. 1 shows how the routines are connected to each other, but does
not show the numerous options available to the user in running the TOX-
SCREEN code. Although a thorough discussion of these options is given in
Section 4, a brief summary is given now to assist the reader while reading
the subroutine descriptions given below. TOX-SCREEN is structured to be
able to run up to four separate simulations simultaneously, with a
different water body type (lake, river, estuary, ocean) used for each
simulation. That is, given the same air and soil parameters, a separate
simulation is necessary to compute results for each water body type
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16
specified. A separate run can be made where no water bodies are
considered, in which case, TOX-SCREEN considers interactions between soil
and air only. The user has the option of picking either an area or point
source for the air compartment or specifying that there be no air source at
all. If there is an air source, the pollutant must be specified to be
either a particulate or gas. Pollutant sources can be input to all three
media (air, water, soil) simultaneously, or to one or any combination of
the three. If a water body is being considered (or water bodies), the
chemical must be specified as acidic, basic, or neit.her. Rate constants
for hydrolysis, oxidation, and volatilization and the value of the soil-
water partition coefficient must be specified for each water body due to
their potential dependence on pH and/or water velocity (Browman, Patterson,
and Sworski, 1982; Browman and Chesters, 1977). For lakes and rivers,
sediment concentrations can be either input directly, or computed using
given input parameters. Sediment concentrations for estuaries or oceans
must be input directly. For estuaries, the longitudinal dispersion
coefficient can be input directly, or if unknown, can be computed using
given input data. For the bioaccumulation subroutine (BIOCHN), the user
must specify whether the compound is or is not a covalently bonding
material.
3.3 ADAPTATION OF THE SESOIL MODULE
The statistical and seasonal SESOIL model has been adapted for•TOX-
SCREEN to estimate concentrations of pollutant in the soil following direct
pollutant application and/or interaction with the air compartment. SESOIL
interacts with other media through simulated hydrological processes,
volatilization, and resuspension by wind. All processes in the SESOIL
model have been documented by Bonazountas and Wagner (1981). The following
describes briefly the modifications made to SESOIL in adapting it for TOX-
SCREEN.
Although SESOIL is designed to operate at four different levels
(LEVELO, LEVEL1, LEVEL2, and LEVEL3 - see Bonazountas and Wagner, 1981),
only the LEVEL3 portion of the model was adapted for use in TOX-SCREEN.
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17
Because of time resolution requirements, the LEVELO and LEVELl modes of
operation (annual simulations) could not be considered for use in the TOX-
SCREEN model. LEVEL2 and LEVELS both perform operations monthly, but
LEVELS is more flexible with respect to applications in that it considers
three unsaturated soil layers instead of just two by LEVEL2. Thus, LEVEL3
was adapted for use by TOX-SCREEN.
Some of the routines in SESOIL were not needed for the LEVELS mode of
operation and thus were not adapted. Figure 1 shows the SESOIL routines
that are in TOX-SCREEN and, in particular, shows those SESOIL routines that
were modified for use in TOX-SCREEN. Although care was taken to change
these routines as little as possible (to allow for future updates by the
authors of SESOIL, and so as not to alter the calculational steps in the
program), some changes were necessary in order to adapt the routines in
TOX-SCREEN. Detailed descriptions of the SESOIL routines will not be given
here since they have been documented by Bonazountas and Wagner (1981).
However, the following discussion addresses the' changes to those routines
that were modified.
3.3.1 Changes to SESOIL Subroutine MAIN
The MAIN program of SESOIL was modified to become the MAIN program for
TOX-SCREEN. A number of parameters needed for TOX-SCREEN were initialized
to 0.0 and passed to the other routines via COMMON statements. MAIN is no
longer capable of calling subroutines LEVELO, LEVELl, or LEVEL2 since these
routines were removed. Subroutine RFILE is still called from MAIN as in
the SESOIL code. A call to subroutine READIN was inserted. All other
additions and changes to this routine were minor.
3.3.2 Changes to SESOIL Subroutine RFILE
Portions of subroutine RFILE concerning the reading of data for
LEVELO, LEVELl, and LEVEL2 were removed. Thus, RFILE will now read data
for only the LEVELS mode of operation, although it is still capable of
reading any existing SESOIL data files (Bonazountas and Wagner, 1981).
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18
RFILE will skip over any LEVELO, LEVELl, or LEVEL2 data in the data files
until it reaches the appropriate LEVELS data. More information is given in
Section 4 where the input data for the SESOIL portion of TOX-SCREEN is
thoroughly explained.
3.3.3 Changes to SESOIL Subroutine LEVEL3
LEVELS is the main connecting link between the adopted SESOIL routines
and the other routines of the TOX-SCREEN model. One of the major changes
made was to put the monthly "DO loop" around the calls to subroutines
HYDROM and TRANS3, and the monthly "DO loop" within HYDROM and TRANS3 were
removed. Also, the "DO LOOP" for the number of steps per month was removed
within TRANS3 and put around the call to TRANS3 in subroutine LEVELS.
These changes allowed the interactions between HYDROM and TRANS3 and the
routines SEDCON, ALPHA, AIR, WATER, and OUTPUT, as specified by the TOX-
SCREEN structure (see Fig. 1). For any one time step, LEVEL3 now
determines for what water body types the user desires results and keeps
track of these results separately (see discussion of TRANS3 below). A call
to subroutine OUTPUT was inserted at the end of LEVEL3 in order for monthly
results to be written into output files.
3.3.4 Changes to SESOIL Subroutine HYDROM
The only major change in HYDROM was the removal of the monthly "DO
loop" from within the routine and putting it outside the call to HYDROM in
the LEVEL3 subroutine. Thus, the monthly index (computer name IMO) is now
passed through the argument list of HYDROM so that calculations within the
routine are done for each month. Constants calculated within HYDROM are
computed only during the first step (IMO=1) to avoid repetition.
3.3.5 Changes to SESOIL Subroutine TRANS3
Both the monthly and the number of steps per month "DO loops" were
removed from within TRANS3 and put outside the call to this routine in
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19
subprogram LEVELS. The monthly index (IMOJ and the steps per month index
(ISTEP) are now passed through the argument list ot IRANS3 so that
computations within IRANS3 are done for each step. Also, media interaction
terms (e.g., deposition from air to soil, pollutant transport from soil to
water, and volatilization from soil to air) are passed through the argument
list. In particular, deposition from air to soil is computed in subroutine
AIR, passed via COMMON statement to subprogram LEVEL3, and then passed
through the argument list to TRANS3 for each time step. These terms are
kept track of separately in LEVEL3 for each water body considered. The
pollutant concentrations computed in TRANS3 for three soil layers are also
passed through the argument list and stored separately in LEVEL3 for each
water body specified by the user. For example, if both a lake and river
were considered in a particular computer run, then for each time step
LEVEL3 calls TRANS3 twice, once passing parameters computed for the lake
case and once passing parameters computed for the river case. For each
water body, TRANS3 computes the adjacent soil concentrations and passes
these values back to LEVEL3 where they are stored. At the beginning of the
next time step, these concentrations are passed back to TRANS3 and used in
further calculations.
In the SESOIL code, IRANS3 also outputs results in a separate file.
This capability was kept for TOX-SCREEN but a few coding changes were
needed and some additions were made. This output is discussed further in
Section 5.
It is noted here that the call to subroutine TRANS3 is bypassed in
LEVEL3 for ocean simulations. Media interaction between coastal waters and
soil is not presently considered in TOX-SCREEN.
3.4 TOX-SCREEN SUBPROGRAM DESCRIPTIONS
Discussion of each of the TOX-SCREEN subroutines, other than SESOIL
routines, are given below. If the user desires more details about the
code, Appendix A provides an alphabetical list and description ot important
parameters in the code which should be useful.
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20
3.4.1 Subroutine READIN
Subroutine READIN reads the input data, other than that for SESOIL,
for TOX-SCREEN. Separate input files are needed for model flags, air
parameters, and water parameters. This input is discussed thoroughly in
Section 4. After reading the data, READIN outputs the data into a file in
tabular form. This helps the user determine whether the data were input
correctly. Where appropriate, various warning messages are written into
this file if the program can recognize that the data are not logical. This
output file is discussed further in Section 5.
3.4.2 Subroutine SEDCON
Subroutine SEDCON is an optional routine that can be used to compute
sediment concentrations for lakes or rivers if these values are unknown.
The descriptions of the model flags in Section 4 explain what these options
are in detail. Basically, if the sediment concentration in a lake under
consideration is unknown, but the sediment concentration of a tributary
flowing into the lake is known, SEDCON will use this information to
estimate the lake sediment concentration (see McDowell-Boyer and Hetrick,
1982). The trapping efficiency of the lake P is needed in this
calculation and is computed in SEDCON by use of a cubic spline that was fit
to a curve given in Zison et al. (1977). The coefficients of the cubic
spline were computed separately and appear in DATA statements in SEDCON.
FUNCTION SPLEVA (see below) is used to evaluate the spline. Thus, the user
does not have to provide this parameter. If the tributary sediment
concentration is unknown, but values are known for the median sediment
diameter, sediment density, water density, depth, and slope of the
tributary, then SEDCON will call FUNLAU (see below) to assist in computing
the sediment concentration of the tributary using Laursen's formula
(Laursen, 1958). Likewise, this last statement applies to rivers or
streams as well.
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21
3.4.3 Subroutine FUNLAU
This subprogram is used to compute Laursen's function and other
parameters needed for computing sediment concentration in water by
Laursen's formula (Laursen, 1958; also, see McDowell-Beyer and Hetrick,
1982). First, FUNLAU computes the Shields factory by use of a cubic
spline that was fit to the curve given in Bagnold (1966). The sediment
fall velocity w is needed for Laursen's function and is computed by use of
a cubic spline that was fit to a curve given in Fields (1976). The only
input parameter needed in computing both and w is the median sediment
particle diameter d. The coefficients of the cubic splines were computed
separately for each curve and appear in DATA statements in FUNLAU. Thus,
FUNLAU passes d and the appropriate coefficients to FUNCTION SPLEVA (see
below) and is computed; likewise, the same is done in computing w. The
critical tractive force (needed for Laur sen's formula) is computed using 4>,
the water density, the sediment density,"and d. The independent variable
needed for Laursen's function is computed using w, the acceleration of
gravity, and the input parameters for water depth and river slope (see
McDowell-Beyer and Hetrick, 1982). Finally, Laursen's function is computed
by use of a cubic spline that was fit to the curve given by Laursen (1958).
These computations are passed back to subroutine SEDCON, where the sediment
concentration is then computed.
3.4.4 Function SPLEVA
The sole purpose of SPLEVA is to evaluate a cubic spline function by
using Horner's rule (Forsythe, et al., 1977). SPLEVA is used by both
subroutine SEDCON and FUNLAU.
3.4.5 Subroutine ALPHA
Subroutine ALPHA computes the ionization fractions a., a., and a.
which are used in computing water pollutant concentrations in dissolved
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22
neutral, dissolved ionic, and adsorbed forms, respectively (see MeDowe11-
Boyer and Hetrick, 1982). Since the sediment concentration and the
concentration of H are needed in computing the ex's, and since these values
can be different for each water body type (i.e., lake, river, estuary,
ocean), ALPHA computes and stores the a's separately for each water body
type considered. If the user wants only soil and air interaction for a
particular simulation (i.e., no water body is considered), then subroutine
ALPHA is bypassed.
3.4.6 Subroutine AIR
Subroutine AIR is one of the major routines of the TOX-SCREEN model.
It computes the maximum and average air pollutant concentrations as well as
the pollutant deposition rates to soil and water for each water body that
is being considered. The first thing that AIR does is determine what kind
of pollutant source there is to the air compartment (point source, area
source, or none). If there is no point or area source (i.e., none is
specified), subprogram AIR still needs to compute concentrations in the air
due to volatilization from the soil and water compartments. An area source
box model is used for these calculations (see McDowell-Boyer and Hetrick,
1982). AIR does these calculations separately for each water body that is
being considered in the simulation. Deposition rates back to the soil and
water compartments are computed also. TOX-SCREEN assumes that if the
pollutant volatilizes to the air, it will be in a gaseous form. Thus, the
deposition rates for redepositing volatilized material are calculated using
wet and dry deposition velocities for gases. AIR is capable of handling
the case when no water body is considered; i.e., only soil and air
interactions are simulated.
When a point source is specified, subprogram AIR first computes the
effective stack height due to plume rise (see McDowell-Boyer and Hetrick
1982). The maximum ground-level concentration X is then computed. The
IX
general-purpose integrator package D01AJF (see below) is called to aid in
computing the depleted source term Q , which is needed in calculating X x
(McDowell-Boyer and Hetrick, 1982). Then, for each water body under
consideration, subroutine AIR computes the average concentrations and wet
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23
and dry depositions due to the point source. Again, the D01AJF package is
called to compute the necessary integrations. Added to these results are
computations due to volatilization rates to the air from the soil and water
compartments. If no water body is being considered, then AIR considers
interaction between soil and air only.
The computations are much simpler if an area source is specified by
the user. No integrations are necessary as a simple urban diffusion box
model is used (see McDowell-Boyer and Hetrick, 1982). Only one average air
concentration is computed per month in this case, and this calculation
considers the area source strength that is input by the user and the
calculated source strength due to volatilization from the soil and water.
TOX-SCREEN assumes that each water body specified is within the area
source. If no water body is specified, then only interactions between the
air and soil are considered.
The maximum and average air concentrations and the deposition rates to
the soil and water compartments are passed from AIR to the appropriate
TOX-SCREEN routines via COMMON statements. Likewise, volatilization rates
from the soil or water compartments come to AIR through COMMON statements.
All other parameters needed for this routine are either passed through the
argument list of AIR or are in COMMON.
3.4.7 The D01AJF Package
The D01AJF package consists of the subroutine D01AJF and auxiliary
routines D01AJV, D01AJX, D01AJY, D01AJZ, P01AAF, P01AAZ, X02AAF, X02ABF,
X02ACF, and X04AAF. D01AJF is from the NAG FORTRAN library (NAGFLIB, 1981)
and is a general-purpose integrator which calculates an approximation to
the integral of a function over a finite interval. Subroutine AIR calls
the D01AJF package when a point source is specified to compute the
integrals used in the point source equations (McDowell-Boyer and Hetrick,
1982). D01AJF calls function routines DEPAVG and CAVGE which supply the
integrands needed (see below). Three machine-dependent numbers appear in
the D01AJF package. The REAL FUNCTION X02AAF should be set to e where, e
is the smallest number on the computer such that 1.0+£>1.0. The REAL
FUNCTION X02ABF is the smallest positive real floating-point number
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24
representable on the computer and REAL FUNCTION X02ACF is the largest real
floating-point number representable on the computer. Since D01AJF has been
fully documented, no further discussion will be included here.
3.4.8 Function DEPAVG
Function DEPAVG computes the integrand of the integral needed to
deplete the source strength from a point source (McDowell-Boyer and
Hetrick, 1982). DEPAVG is called from the D01AJF package.
3.4.9 Function CAVGE
Function CAVGE computes the integrand of the integral needed for the
sector-averaged concentration in air due to a point source (McDowell-Boyer
and Hetrick, 1982). CAVGE is called from the D01AJF package.
3.4.10 Subroutine WATER
This subprogram computes the pollutant concentrations in the water and
the volatilization rates from the water to the air for each water body
specified by the user. For lakes, rivers, and estuaries, subroutine WATER
can accept direct pollutant input (e.g., from a plant) as well as pollutant
rates from both the soil and air compartments. For oceans, only direct
source input by the user is accepted since TOX-SCREEN does not consider
media interaction for oceans. The water concentrations are calculated in
the dissolved neutral, dissolved ionic, and adsorbed forms by using the
coefficients computed in subroutine ALPHA. These concentrations are stored
separately for each water body type considered. The equations coded in
subroutine WATER are documented by McDowell-Boyer and Hetrick (1982).
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3.4.11 Subroutine BIOCHN
BIOCHN has been added recently to the TOX-SCREEN model to estimate
bioaccumulation in food chains. The methods used for these estimations are
documented in Appendix F of this report. Since BIOCHN is a recent addition
to the computer code, and time did not permit assimilation into the overall
code framework, the input data needed for the BIOCHN equations are read by
BIOCHN itself from a separate input data file. Also, all results from
BIOCHN are written by BIOCHN into a separate computer file. The input data
for and the output from BIOCHN are discussed further in Sections 4 and 5,
respectively.
Basically, BIOCHN reads the necessary input data and immediately
writes these data into a file in tabular form so that the user can
determine if they were input correctly. Other parameters needed in the
bioaccumulation equations are passed to BIOCHN via COMMON statements.
Then, for each water body type specified, BIOCHN computes concentrations in
aquatic organisms and terrestrial plants. For each month, the maximum
pollutant concentration in each water body (computed by subroutine WATER)
is used in computing the concentration in the aquatic organisms. The
monthly results are printed in tabular form into an output file (see
Section 5).
3.4.12 Subroutine OUTPUT
The sole purpose of subroutine OUTPUT is to write out results from the
TOX-SCREEN calculations. A separate output file is written for each water
body that is specified by the user. For example, if a lake was specified,
the monthly pollutant concentrations for the water in the lake, the soil
next to the lake, and the air above the lake and soil, as well as the
monthly interaction terms (deposition, volatilization, etc.) would be
printed in an output file. If a river was specified during this same
computer run, a different file would include the results for the river.
More details are given about the output from subroutine OUTPUT in Sections
4 and 5.
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4. TOX-SCREEN OPERATION
This section presents to the user the necessary information on how to
run the TOX-SCREEN computer code. A complete discussion of input data
compilation is included. While reading this section, it will be helpful to
refer to Appendixes B and C, which contain the job control language (JCL)
to run TOX-SCREEN on the ORNL IBM 3033 computer and sample input data,
respectively.
4.1 MODE OF OPERATION
Before execution of TOX-SCREEN is possible, the user must first
assemble seven input data files. The program reads these data files by use
of seven different logical input device numbers. Table 1 shows the logical
input device numbers that are used in TOX-SCREEN and gives a short
description of the files corresponding to these device numbers. It is
important for the user to assign the proper device number to the correct
file. For example, the logical device number 10 is used to read the file
that contains the model flags. On the local ORNL PDP-10 computer, this
file could be named FOR10.DAT. Similarly, the other files could be named
FOR01.DAT, FOR02.DAT, FOR05.DAT, FOR11.DAT, FOR12.DAT, and FOR18.DAT.
These input data files are discussed in the following subsections. To
execute TOX-SCREEN on the ORNL PDP-10 computer, the user simply types into
the terminal:
ASSIGN DSK 5|
ASSIGN DSK 61
EX SCREEN.TOX, SYS:ERF.RELi
Here, the symbol I stands for carriage return. The user types the first two
lines since device numbers 5 and 6 are default numbers for the teletype for
input and output, respectively, on the ORNL PDP-10 computer. Since TOX-
SCREEN reads data from a file with device number 5 (FOR05.DAT) and outputs
results into another file with device number 6 (FOR06.DAT), these numbers
must be assigned first before executing the program on the PDP-10. For
example, if the user did not assign the number 6, then the results from the
27
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28
Table 1. Logical Input Device Numbers in TOX-SCREEN
Device Number ORNL PDP-10 Data File
Data Description
FOR05.DAT
SESOIL data file containing
executive data (Bonazountas and
Wagner, 1981).
FOR01.DAT
SESOIL data file containing general
climatologic, soil, and chemistry
data.
FOR02.DAT
SESOIL data file containing data
for LEVEL3 executions.
10
FOR10.DAT
Data file containing the model flag
parameters.
11
FOR11.DAT
Data file containing the air
compartment parameters.
12
FOR12.DAT
Data file containing the water
compartment parameters.
18
FOR18.DAT
Data file containing the
bioaccumulation parameters.
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TOX-SCREEN program using unit 6 would be typed into an arbitrarily named
file during execution on the PDP-10 rather than be typed into file
FOR06.DAT. On the third line above, SCREEN.TOX is the PDP-10 file that
contains the TOX-SCREEN program. The SYS:ERF.REL refers to the error
function that is needed by TOX-SCREEN.
During execution, TOX-SCREEN outputs results into seven separate
output files using different logical output device numbers. Table 2 shovs
the logical output device numbers that are used in TOX-SCREEN. When
executing TOX-SCREEN on the PDP-10, the results are output into files with
names FOR06.DAT, FOR13.DAT, FOR14.DAT, FOR15.DAT, FOR16.DAT, FOR17.DAT, and
FOR19.DAT. These output files are discussed further in Section 5.
The user can easily run the TOX-SCREEN computer code on the ORNL IBM
3033 computer by submitting the proper JCL. From a terminal at ORNL
(connected to the PDP-10), the user would type the following command:
IBM SCREEN.JCL
and the program would be executed on the local IBM 3033 computer. Here,
SCREEN.JCL is a PDP-10 file containing the JCL. This file is included in
Appendix B of this report.
Although the above explains how to run TOX-SCREEN only on ORNL
computers, users should have no problem implementing the code on other
computers by using similar procedures.
4.2 INPUT DATA FILES
The following subsections discuss in detail how the input data files
should be constructed by the user. Tables 3-9, included at the end of this
section, will aid the user in preparing input files. Sample input data
files are given in Appendix C. Briefly, the input for the SESOIL portion
of TOX-SCREEN is read first by the program. TOX-SCREEN then reads the
files containing the model flags, the air parameters, the water parameters,
and the bioaccumulation parameters. Preparation of these files is
discussed in the following subsections in the order that they are read by
the TOX-SCREEN program.
Four types of standard FORTRAN format codes appear in Tables 3-9, the
I, F, E, and A formats. The I format code is for integer data, the F and E
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30
Table 2. Logical Output Device Numbers in TOX-SCREEN
Device Number ORNL PDP-10 Data File
Data Description
FOR06.DAT
Contains output from SESOIL portion
of TOX-SCREEN (Bonazountas and
Wagner, 1981).
13
FOR13.DAT
The input data to TOX-SCREEN are
written into this file so the
user can determine if they were
input correctly. Also, any error
messages are written into this
file.
14
FOR14.DAT
Contains results from a simulation
when the water body is a lake or
for soil-air interaction only.
15
FOR15.DAT
Contains results from a
simulation when the water body is
a river.
16
FOR16.DAT
Contains results from a
simulation when the water body is
an estuary.
17
FOR17.DAT
Contains results from a
simulation when the water body is
an ocean.
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Table 2. (Continued)
Device Number ORNL PDP-10 Data File
Data Description
19
FOR19.DAT
Contains output from the food
chain bioaccumulation subroutine
BIOCHN.
These files are not written if the particular corresponding water
body is not considered in the simulation. If no water body is considered
at all (soil-air interaction only), results are written into FOR14.DAT.
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32
format codes are used in transmitting real data, and the A format code is
used in transmitting data that is in character format. For the I, E, and F
formats, leading, embedded, and trailing blanks in a tieId ot the input
card are interpreted as zeros. Thus, when no decimal is present in the
input data item, the item must be right justified in its field. It the
decimal point is present (F or E format), its position overrides the
position indicated by the d portion of the format field descriptor (Fw.d or
Ew.d), and the number ot positions specified by the w portion of this field
must include a place for it. For E tormats, the E may be omitted from the
exponent it the exponent is signed (i.e., l.OE+1 may be typed as 1.0+1).
4.2.1 SESOIL Input
Data for the SESOIL portion of the TOX-SCREEN program are read first.
Arthur D. Little has compiled some generic input data for their SESOIL
program (Bonazountas and Wagner, 1981). As mentioned in Section 3, the
SESOIL subroutine RFILE adapted for TOX-SCREEN will read data for only the
LEVELS mode of operation. However, TOX-SCREEN is capable of reading any
existing SESOIL'data files since it will skip over any LEVELO, LEVEL1, or
LEVEL2 data in the tiles until it reaches the appropriate LEVEL3 data.
Thus, the user can either use existing SESOIL data compiled by A. D. Little
(Bonazountas and Wagner, 1981) or put together his/her own data files. In
either case, the step by step instructions given in Tables 3-5 must be
followed carefully. Table 3 shows how to construct the SESOIL data file
containing the executive (EXEC) data (see FOR05.DAT in Table 1 and Appendix
C). This file controls the execution of the SESOIL portion of TOX-SCREEN
as well as the reading of various SESOIL data files. While reading these
tables, it will become clear that the tile described in Table 3 is employed
in conjunction with the data files described in Tables 4 and 5. One
restriction applied to the EXEC data in Table 3 for TOX-SCREEN is that the
parameter JRUN must be 1. That is, only one run can be made at one time by
the TOX-SCREEN program whereas in the original SESOIL program an unlimited
number of runs can be specified at one time. Note also that the parameter
LEVEL must always be 3 specifying the LEVEL3 mode of operation. JYRS, the
number of years to be simulated, must be < 10.
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33
The SESOIL general (GE) data file input sequence is described in Table
4 (see FOR01.DAT in Table 1 and Appendix C). Information contained in this
file includes regional descriptions, soil classifications, and chemistry
data. This file has been described in detail in Bonazountas and Wagner
(1981). Table 4 describes what data is needed for the LEVEL3 mode of
operation only. Data for other levels of operation (i.e., 0, 1, and 2)
will not be discussed here since they are not used in TOX-SCREEN. One
parameter has been added to this SESOIL file for use in TOX-SCREEN. Line
17 of Table 4 contains the added parameter RDUST, the dust loading
parameter (McDowell-Boyer and Hetrick, 1982). If columns 67-73 of line 17
are left blank or are put to 0.0, then resuspension of dust particles from
soil to air will not be considered. Thus, if existing SESOIL data are
used, then this parameter should be added in the appropriate place in the
file.
The SESOIL file described in Table 5 contains information required to
perform.a LEVEL3 (L3) application (see FOR02.DAT in Table 1 and Appendix
C). The device number used to read this file was changed from 7 to 2 in
the SESOIL portion of TOX-SCREEN since device number 7 is reserved for the
card punch on the local ORNL PDP-10 computer. This file description has
not changed from that documented in Bonazountas and Wagner (1981). Note
that if there is no direct pollutant application to the soil, the parameter
AR (surface area) should be set to 0.0 (see line 2). In this case, TOX-
SCREEN computes the soil area that receives pollutant deposition from the
air.
4.2.2 Model Flags
Section 3.2 discussed the numerous options available to the user in
running the TOX-SCREEN code. Table 6 discusses the model flags which
determine what options are chosen (see FOR10.DAT in Table 1 and Appendix
C). If the user desires interactions between only the air and soil
compartments, then the flags LAKE, RIVER, ESTU, and OCEAN should all be set
to NO signifying a water body is not being considered in the simulation.
Of course, any combination of YES or NO can be used for the flags LAKE,
RIVER, ESTU, and OCEAN. This file is employed in connection with the data
-------
34
files described in Tables 7 and 8. For example, if the parameter LAKE is
set to YES but SEDLKE is set to NO, then the user must follow the
instructions for the parameter TRICON. The input data are different,
depending on whether TRICON is set to YES or NO as explained in Table 8.
4.2.3 Air Parameters
The file that contains the air parameters is described in Table 7 (see
FOR11.DAT in Table 1 and Appendix C). This file is not needed if the
parameter OCEAN in Table 6 is set to YES while the parameters LAKE, RIVER,
and ESTU are all NO since media interactions between coastal waters and air
or soil are not considered. Otherwise, the first three data cards are
always required. Notice that thereafter different input data are required
depending on whether the parameter AIRFLG from Table 6 is FOIN, AREA, or
NONE. For simplicity of illustration, Table 7 assumes that the parameter
JYRS from Table 3 is 1. For example, as discussed in Table 7, if JYRS>1,
then the number of cards needed for the UW(MON.IYR) will depend on the
number of years selected. For more information regarding default values
for parameters in Table 7, see McDowell-Boyer and Hetrick (1982).
4.2.4 Water Parameters
Table 8 describes the input sequence needed in compiling the file of
water parameters (see FOR12.DAT in Table 1 and Appendix C). This file can
be ignored if all the flags LAKE, RIVER, ESTU, and OCEAN are set to NO (see
Table 6). However, if any of these parameters are set to YES, step by step
instructions are given in Table 8. In this case, card 1 is always needed.
Thereafter, the data depend on whether the parameters LAKE, RIVER, ESTU,
and OCEAN are set to YES or NO. Again, for simplicity of illustration,
Table 8 assumes that the parameter JYRS from Table 3 is 1. Default values
for many of the parameters in Table 8 are given in McDowell-Boyer and
Hetrick (1982).
Some points given in Table 8 need further clarification. In the case
where the parameter LAKE is YES, SEDLKE is NO, and TRICON is YES (see cards
?L - SL), then the user should set SEDCL(MON.IYR) to the average suspended
-------
35
sediment concentration in the tributary flowing into the lake for month MON
and year IYR. TOX-SCREEN then uses this information to compute the
suspended sediment concentration in the lake. However, if both SEDLKE and
TRICON are set to NO, then the tributary parameters DIASDT, DENSDT, DENWT,
WDEPT, and SLOPE! (see card 7.) are used to estimate the sediment
LI
concentration in the tributary and this value is then used to determine the
sediment concentration in the lake. Likewise, if RIVER is YES but SEDRIV
is NO (see card 8_), the user inputs parameters DIASDR, DENSDR, DENWR, and
K.
SLOPER which are used to compute the sediment concentration in the river
(see subsection 3.4.2). For estuaries, if ESTU is set to YES and if the
longitudinal dispersion coefficient EL is not known (DISFLG set to NO),
parameter TIDMAX (maximum tidal velocity) can be input (see card 6_).
TOX-SCREEN will use TIDMAX to compute a longitudinal dispersion coefficient
(see McDowell-Boyer and Hetrick, 1982).
4.2.5 Bioaccumulation Parameters
The input sequence for the bioaccumulation parameters is described in
Table 9 (see FOR18.DAT in Table 1 and Appendix C). Default values for
parameters in Table 9 are given in the discussion in Appendix F. Note that
line 2 of this file is not needed if the parameter COVFLG in line 1 is set
to YES.
-------
36
Table 3. SESOIL EXEC Data File Input Sequence
Card
(or Line)
Fort
Parameter
it Name
Type
Column
Position
Definitions and Comments
(815) JRDN
Integer
1-5
(right justified)
LEVEL
Integer
6-10
(right justified)
JRUN is the incremental
number of the run. For
the TOX-SCREEN program,
this number should
always be 1 since only
one run can be made at one
time. Type the number
1 in column 5.
LEVEL is the SESOIL
level of operation. For
TOX-SCREEN, LEVEL is
always 3. Type the
number 3 in column 10.
JRE
Integer
11-15
(right justified)
JSO
Integer
16-20
(right justified)
JCH
Integer
21-25
(right justified)
JRE is the index of the
region of interest. The
user should match JRE
with NRE from Table 4.
The last digit of this
number should be typed in
column 15 (i.e., the number
must be right justified).
JSO is the index of the
soil type of interest.
The user should match
JSO with NSO from
Table 4. The last
digit of this number
should be typed in
column 20.
JCH is the index of the
chemical compound of
interest. The user
should match JCH with
NCH from Table 4. The
last digit of this
number should be typed
in column 25.
-------
37
Table 3. (Continued)
Card
(or LINE)
Parameter
Format Name
Type
Column
Position
Definitions and Comments
JNUT
Integer
26-30
(right justified)
JAPFL
Integer
31-35
(right justified)
JYRS
Integer
36-40
(right justified!
(15)
JRUN
Integer
1-5
(right justified)
JNUT is the index for
the nutrient cycle
participation. This
parameter is not used
in the present model
but it is reserved for
later use. Leave as
blank or enter 0 in
column 30.
JAFPL ia the index for
the application area of
interest. The user
should match JAPPL with
NTY from Table 5. The
last digit of this
number should be typed
in column 35.
JYRS is the number of
years to be simulated.
The user should make
sure that JYRS is never
greater than the number
of years of data that is
included in the data
files discussed in
Tables 4, 5, 7, and
8. The last digit
of this number must be
typed in column 40. JYRS
must be < 10 for
dimensioning reasons.
Type the number 999 for
JRUN in columns 3-5 to
indicate the end of this
file. When the program
recognizes JRUN to be
999, it immediately ends
execution.
-------
Tabla 4. SESOIL Gt Data til* Input Sequence
Card
(or
Paruetir
I (II.31.1214) IF
TITlt
InttgOT
Character
»-54
(-)
(-)
2 (21.13, IX, 1114,13) KB I
Integer 3-3
(riaht juetified)
<-)
TITUS Character 7-94
(1.12)
ITI3 Integer 35-59
(right juecified)
(-)
f«.ITD.2}
CL1KM1 tail
u.i.m)
9-14 lot RR-I
NF BMet be iec Co 1 hire. Ke
• ifaifiei clue che Jan to
follow deeerLbei the region
of
TITLE cu be ch* heading
"BZGXOKAL DISCIIPTIORS,
CLIMATIC STOW DATA" or ear
other heading the near denr«.
It i. only ui«d .. . vi.u.l .id
•t tht b<(inain( of thu file
to indiuc* that climatic dit>
folio...
KBB 11 th« ladax of tha «tte
baini canfiderad. Thu number
•UK oatGb JIB <«•• Tabla 3)
in ordar (or the follmni
data from thu rc(iaa to b«
tiaed. Th« laic digit of thu
luabar mutt ba typed IB column 5
(i.e., CM amber w>t ba right
TTTLESU.1I) 11 tha heading of
tha area or region vhera the
a»dal will ba applied. Thu
haadtaft i« wiiCtaa at tha
beginoing of the output file
for tha uter'e eoavanience.
ITRS ia the iad» of ho> aaajr
raari of data folio*. The lett
digit of (hie auaber nuat be
typed u coluon 99. ITES aaiC
ba t 10 beceuia of dimaniioniag
ia chi prog ran.
L u tba latitude of Che area
(aa a decJ.Bel>< Coluaoi 1-9 an
ignorid but caa be und to identify
tba dita.
(ax.ijn.2)
(U, 1116.2)
(SX.lZtt.l)
CLDDU
or
TA
CLDOU
<3,MOB.IT1)
or
m
CLUOI1
(4,(OH. in)
CLIKMl
(S.HOK.ITl)
Keel 9-14 for MOB-
19-20 for JOB-J.ITH-1
11-26 for (OS-3,111-1
79-*0 for K>a-l2,ln-l
9-14 fer MOB-l.m-1 (iractioa)
13-10 for MOR-l.ln-1
21-16 fer KW-3,ITt-l
9-14 for MOB-l.rn-1 (friction)
13-20 for BOB-2.IT1-1
11-26 for HOB-J.ITl-1
75-80 far HOB-1I.ITK-1
9-14 for IDR-l.m-l
11-20 for (O5-2.1TE-1
21-16 for MI-
75-80 for M08-U.ITE-1
CLHOU(2,»B.1TR) t. tha
tcoper•tuft of che aria for
tenth MOM end Ji.r ITS. HDN-1
•ignifiei the vonth October.
HOR-12 ngnifiii Saptnher.
Within tha program, tha
piriMter TA it eet to
CLZHM1(2,K».ITI) for
cleritr.
Climl(3,HOH,ITTO or HH LI
the fraction of iky covered
by cloudi for Bench MOS end
Tear IY>.
CLIMHl(4,HOR,in) or S 11
the relative huaidit; of ibi
area for noath MOS and yeer
ITS.
CLIMM1(3.HON.ITX) or A i.
the ihortwava libido of the
•utfaea {or month HOD and
year in.
lipreeeacaciva veluei for
the rariablei on carde
3-7 for varuui locatuna
u tha U.S. caa be found in
Bonaiouatee and Wigner (1981!
-------
39
Table 4. (Continued)
Card
(or
Uul_
ParaOJItOC
PefiniCiona aad Ceaaettta
a cn.i»*.t)
uai
10
11
12
ltX.l3Tt.lt
R-2,1TR-1
MDS-3,in-i
75-80 for IDI-.12.ITK.I
»B-1,ITI-L
BOB-3! in-J
71-BO tor MM-ll.ITl-l
4-14 f»r
11-10 for
11-96 (or
coViay CLDOlKo.JCS.rnO or HP
l> tbe erapotraetpiratun
rat* of tbe area for onatb
HOB ud jut ITI. If Cbil
tuo it lift bloak or O.O'i
•ro cntorid, thoo coo cod*
•ill kuyn, «acri
clM Toliui on Ibu liu nd
tbo cote «llL Hoc iicuute it
from too pariutirl L.U.IK.S
tod 1.
CO CLIH112U.»S.IT1> or MFM l>
the OTIC iplttt 101 (or mntb
MR tod JMT ITI.
tmjm a.IHK2
tb* Diiabor of •Cora «v«a»
durus aonth HD» of Jt«r ITS.
CLlMU<4.MDB,m) or HT u
ch> BIID l«a|Cb of tbo run
••aioo |BOOI ertiy J-4
da;i u i Md durioc tao
ontiro Bootb, clua ca»ld«r
cb> rou xoiaa to Uot el»
aaCLro Booeb and «ic HT
U 365/J3 - 30.».
11
Ibu u ID npcr IIM for *iiiul vurpoioi. It udiucoi tbo «d of jur IIi-1. If ITU <••• luw J> 11 gr.it or
ehuL 1. thu luwt 14-14 a( thi« (Li. mild b« tl« uw u IUM 5-tJ «Keot tH. -wiuW »o 2. luel Ji-JJ would me hid.
too d«t« for tbo third r«ir. otc. 7or cUricy. tbn t.bl. tiiaaoi tbo oaabor of re»n IIS8-1. Al«o. oootbor t«t
of i.t. for • tol«lly diffirnt r«$ion uo folio. b>». Tool i«. e«rd. 1-13 e»o bo rcpootod birt for oootbcr
roxioa. Boca tbic, 1.0 tin eoio. cbo voriMCir RU froa eird 1 nuld bivo to bo • difformt nrabor for itcb
rocua *woo. For UT DorticnKr coB>rit« ruo. tbo uoor maid .« JU (•« T.blo 3) to cbo «»ioa H» of
ucoroit. Ibvoror. (or eUritj, tbio toblo OMOBOI tbot oalgr oao rofin n |i»en.
Ctl.SZ.1214} HF
T1TU
IS Ca.I3,lI,lU4)
TITUS
(1,12)
Iato(or
Cborootor
latotor
Cboroccor
7-34
jomfiod)
7-J4
(-) 8T mac be eet u 2 here. It
iunifiea cbat tb* late to
follow deicribea ebe aoil of
utereot.
(-) TITLE can bo tbe bead us "SOIL
CL43SIT1UTIOBS, SOIL, 3ED1KEKT
DMA" or any otber beedioi cbe
uier delirei. Ic u only uaod
aa a viaual aid at Che befinflLnt
of tbia lection to utdiute that
aoLl date follova.
C-) BSD u tbe mdei oE tbe aoil
heive, cooeidertd. Thu suaber
nuac nmtcb JSO (aee Teble 3)
in order (or tbe follovios daca
for chia loll type co be uaed.
Tbe Uet digit of tbll nuaber
Duat bo typed u colon S.
C-) Tln.H(2l12) ll an aIphannaet 1C
titll oaed to daacribe tbe aoll
type. Thia title la written at
-------
40
Table 4. (Centiaud)
Card
(er
Lina)
Parameter
Nemo.
Tvoa
Cttluni Position
16
(38X.6P7.2)
R8
II
OC
CC
Raal
Raal
Raal
Real
Raal
Raal
39-4}
46-12
53-59
60-66
67-73
74-10
g/c.'
cm2
(-)
(-)
Z oe
I cc
IS le Chi soil density.
XI is th« aoil intrinsic
•ability (sea card 17 below).
(38X,3P7.2) CEC
KID
KIM
K1L
Raal
Raal
39-4}
46-52
53-59
C la tha aoil diteoonacccdneia
index.
II la cha effacciva aoil poronty.
Representative valuai far cha
variables Kl, C, and N for varioui
loll typee can ba found in
Bonasouncai and Wagnar (1981).
OC la cha organic concanc of the
toil.
CC la cha clay contanc of cha
•oil. Thia dacuB la noc praaancly
used in Cha SESOIL coda so can
ba laft blank.
Columns 1-38 ara ignored buc
can ba uaad in cha file Co
identify cha data. The parameters
array S01LK6).
mae/lOOg aoil CEC la Che loll cation exchange
(neq^llll capacity.
equivalent!)
en2 (10 la the intrinaic permeability
of Che upper aoil layer.
cm2 C1M la cha utrinaic paraeabilicy
at the uddle aoil layer.
Real 60-66 cm2 111. la the intrinaic permeability
of cha lover aoil layer. It is
acted here that if El dee card 16)
ind the aat of KID, KIM, and K1L
sra given, the program will ignore
the letter valuea and vill use the
value of Kl for all layers. Thus,
if KID, KIM, and K1L are known,
leeve tha entry for Kl on card
16 blank.
RDD8T Raal 67-73 ug aoil/m3 UOST is the dust loading factor.
This is tha only parameter chac
baa been added Co cha original
SESOIL input files in the TOX-
SCREEH spplication. Default values
are given u McDowall-Boyer and
aacrick (1962).
Tha parameters of this line are
stored in array SOIL2(6).
Lines 15-17 cen ba inserted for an unlimited number of soils. The parameter NSO from card IS would have to ba a different
number for each soil type. For any particular computer run, the user would set JSO (see Table 3) to Che soil type NSO of
interest. Bowever, for clarity, thia table assumes only one soil type is given.
18
H?
TITLE
Integer
Character
7-34
(->
(-)
HP must be sat to 3 here. It
signifiaa chat tha data Co follow
describes Che chemical of incereic.
TITLE cen be the heading "CHEMISTRY
DATA" or any other heeding the user
desires* Ic is only used as a
viaual aid at tha beginning of chu
lection to indicate that chemistry
data follows.
-------
41
T«bl« 4. (Continued)
Card
(or
Line)
19 <2X.
Formic
I3.1I.12A4)
Parameter
HCB
Integer
Column Position Units
3-5 (-)
(right justified)
Definition! snd Consent t
HCH is the index of the chemical
being considered. This number
T1TLES(3,12) Character
20
(38X.6P7.2)
(3U.5F7.2) MVT
7AL
EKH
UH
MB
(38Z.3P7.2) SC
B
Kim. ic
Reel
Reel
Seel
Reel
Reel
Reel
Reel
Reel
7-54
39-45
46-52
53-59
60-66
67-73
39-45
46-52
53-39
la order for the following decs
for thie chraical type to be ueed.
The lalt digit of thl> nimber suit
be typed in column 5.
TITUS(3,12> le en alphanumeric
title ueed to deicribe tbe
cheaicel. Thii title le
SL
ROC
DA
RBI
B
R
Reel
Reel
Reel
Reel
Reel
Reel
39-43
46-32
33-39
60-66
67-73
74-80
ug/ml
(ug/goc)/
(Ug/Bl)
caz/sec
d.7'1
•3eta/nol
(ug/g)/
(llg/Bl)
output file for Che user's
convenience.
SL le the compound lolubilicy
in vecer.
, HOC ii the ediorpcion coefficient
of the coapound on orgeoic cerbon.
DA le the diffusion coefficient
la eir.
ROE le the biodegredatun rate of
che coapound.
B ic Henry's lew constant.
K it the aversged edsorpcion
coefficient for che coapound
g/«ol
(-)
day'1
l/tnol day)
l/(aol day)
oa the soil. If K is not
given, the progrea estiaatee
it by using ROC and OC (from
line 16).
The peranecers in chie line ctn
be eetlnated using methodologies
described in Lyaan, Reehl. end
Rosenblett (1982). Columns
1-38 ere ignored but can be
used in the file to identify
the date. The peramecert of this
line ere stored in array CHEMKIS)
MVT is the aolecular weight of che
coapound.
TAX. le che valence of che compound
t
l/ool
niH is che neutral hydrolysis
constant.
KBB is Che bsse bydrolyste
conscsnt.
KAB is the acid hydrolysis
constant.
The paraaeters of chia line
are scored in arrsy CHEPKIS).
SK is che stability constant of
the coapound - ligand complex.
B is the number of moles of ligsnd
per aole of compound completed.
MVTLZC it the molecular weight
of tbe ligand.
The
stored in array CHCMK18).
Lines 19-22 can be repeeted for an unlimited niaaber of cheaicelt. The paraaeter NCB froa card 19 would have to be a
different number for eech chemical type. For eny particular computer run, che user would sec JCB (see Table 3) co
che cheaical KCB of interest. However, for clarity, this cable assumes only one cheoicel it given.
23
(11.5I.11A*) HP
TITLE
Integer
Character
7-54
HP TUSC be sec co 9 here. Ic
signifies thsc chis is the lasc
line of chis dace file.
TITLE can be che heading "END OF
FILE" or any ocher beadieg the
uaer desires. Ic is only uted
ts a visual aid co the user.
-------
42
Table S. SI80IL U Data Fill Input Sequence
Card
(or Lue>
Format
Parameter
Column
Type FOBit ion
Haiti
Dafinitioni ud Comunti
(2X.U.U.12A4.I9)
Integer 3-3
(right
jaatlfled)
2 (3U.9FI.2)
TITLBS(!,12) Character 7-14
Integer 99-39
(right
jaatlflad)
teal 19-45
leal 46-32
teal 53-59
m
FU
tail
teal
60-66
67-7)
(3BX.3F7.1) FB
A2FB
APB
leal 3»-4J
(Ml 46-32
leal 31-39
(3U.6F7.2) A2DI leal 3»-4I
leal *6-92
A20C
toe
lul 33-59
teal 60-46
(-J
(-3
(-3
ITT 11 tba iadei at tbe
region that the iimulation
will ba applied to. Thie
number muat matcb JAPPL
(aae Table 3) in order for
the folloving data from
thia region to be uBed.
The liet digit of thia
number muat be typed in
ulusn 5 (i.e., the number
•uat be right juitified).
TITLE8(J,12) containa the
beading related to tbe
regLon/applicatioo far
which data follow.
ITRS la the index of how
many yeari of data follow.
The laat digit of thia
number mnat ae typed in
column 39. ITIS mult be
5 10 became of
dimensioning IB the program.
Al 11 the lurfaca area of the
1011 that 11 beiag affact ad by
direct pollutant application.
If tba chemical la not applied
directly to the toil lurface,
put AR - 0.0.
z IB the depth ta tha ground-
water table for tbn application.
DO 11 tha depth ef tha upper
epplicetion.
DM 11 the deptb of the middle
uaaetarated loll eoae.
MB IB tbe Freundlicb equation
exponent.
ColunOB L-38 on thia line are
ignored but can be uied in the
file ta identify the data.
Tha paramatara of thia line
are itored u irray GEOH(20>.
FB 11 the pB of the upper aoil
Bane layer.
A2PB IB tbe ratio of pB (or tbe
middle to upper 101! layer.
APB 11 the ratio of pB for the
lover to upper Boil Ley en.
The peramatera of thia line ire
•tared in array CEOH(20>.
A2XIE 11 the ritlo of the
biodagridition rate of tbe
compound u the Diddle toil
Bono to tba upper Boil Bone.
AKBE ia the ratio of the
biodegradatlon rite of the
compound in the lower 101!
none to tha upper loll 1001.
A20C ia tbe ratio of the organic
urban content of toil IB the
middle toil lone to tbe upper
•oil aana.
AOC ia the retio of the organic
carbon content of ioil in tha
lower toil tone to the upper
eoil Boae.
-------
43
Table I. (Ceatlaiiad)
C«rd
Car Uaa> Format
ParaaatiT
Colon
Poiitioa. hit*
DiflaltlaBl and
AXCC
ACC
toil
bi 1
*7-TJ (-)
74-10 (-)
JkZCC in tha ratio of thi cl»T
caitaal of tha wil a, tha
•add la toil IOM 10 chi
oppir lOll ISOt.
ACC 11 tha racia of the cli?
content of tin »il IB chi lewir
•oil IOBI to tin uppar tail
Tbi pil
«»
tirt of ton line
in «rr«j GEOK(20>.
a ciax.irf.i)
laal
MVMl(l.HM) Bail
or
COM
7 (ai.nrt.i)
cm
s*-*s
46-M
»-14 for »B-t u
19-20 for M»-l
21-24 for HDB-J
75-80 for HOB-12
9-14 for IBB-I u
13-10 (or MDB-1
21-36 for HO»-3
79-tO for HOB-12
A2CCC LI thi TIC10 of chi citxan
»cb»|i c*p*cicr u thi aiddli
•oil »ai te chi upp«r toil »».
ACIC u thi rltio of chi ciCioi
iichuti eiptcitr u cba IOV«T
loll *OBO Co chi uppir loll sovi.
tumid, WHO or CHH 11 thi
eoaeiBtrition of thi pollutant
IB thi toil aoucuri of chi
uppir IOBI IB B»nth MO*. If
•a app licit IOE 11 to icarc
•ich u tlrcid; polluted
colium, tbn eoBciotricioa
ihould bi oBticid u chi
oontb bifor* uy loadLBf tl
l]MClfl>d. (MN-1 liajnifill
cii aouh Qetebir.)
itnmHi.iei) or cm n thi
coocintricioo of thi
pollutint IB Ihi 101! aoiituri
of Chl uddll Mai IA vontb
M>H. If an applicit ion 11 to
•tirt with IB alrildy
polluted colua. chu
eoaeiBCrBtioB ihould bi
iBCirid LO thi BOBtli bifori
•ar loadiai LI ipic&fud.
1 CST.12P6.2)
tOB)!(3.M»)
oc
cm
»-14 for NOI-1
15-20 for MOR-2
21-26 for HOB'l
75-M for
-12
URMl(l.MI) or OH U thi
caaccBtntuB of thi pollutaoc
la thi ooil •oiituri of chi
lam »BI ia aoach MM. If
n ipplicacloo ia to icirt »ith
•a ilraadj pellucid coluan, thia
cOBcintTitloa ihoald bi nterid
u thi BoBth bifon taj loidut
11 ipicifted.
(8X,I2M.9)
10
11
12
(81,1276.2)
(BX,12r6.2)
iami(4,iea)
ar
POLXBU
UBUIJ.MI) liil
or
POIIIM
inmi<6.N»>
or
tm.ua.
UROUC7,K>»
or
ucx
7S-BO for MM-12
»-14 for
11-20 for
21-26 for
H0»-l
H»-2
mi>3
7J-M tor HBB-12
»-l* for
11-10 for
21-26 Cor
WW-2
KW-3
7S-M Cor HW-12
»-14 for
15-20 for
21-26 Cor
(-}
IBI-2
»"-J
7J-80 for 10S-12
inmiu.nw) or tm.ua »• chi
aaactilj pollution Lead <•»«}
par aaic araa or POLIHI il thi
•aathlj pelUtua Uid (•MI)
pir ocit am (ea2) aiciriai
thi l»mr ml uaa.
tnoU(;.HDI) or HIM » eta
•onthl; udu for pollutaic
ifpakciaci i» larfaci rvaoff*
Sac lDmi(;.l*)l} to 0.0 for
BO lorfaci rvBoff partLcipatioBi
Co 1.0 for full nrfica ruBoff
participation, or to eoaa nmbar
ia hatvian 0.0 or 1.0 for partial
•arfaca raaoff participation.
-------
44
Table 3. (Continued)
Card
(OT tint) Fernet
Parameter
Type
Co limn
Position
(hit* Definition* ind Commenta
13 (81.1276.2)
RUBttd.MW) Rul
or
ACL
13
(81.1276.2)
(81,1276.2)
aOHM(l.MDB) Rul
OT
16
(81.1276.2)
RDHH2(3.HOS> Rul
or
TUHSN
RDBH2U.HOB) Rul
or
TRABSL
9-1* for HOB-1 (-) RUBIUU.Mm) or A3L containe
13-20 for HDB-2 Che aanthlj ncio of tbi
11-26 for HOS-3 concentration at pollution
in rain to the maxima
13-80 for HOB-1J eolubility in «ater. Sine*
aabrontina AIR of TOX-SC8E2B
pneeee tha concentration in tbe
rain to the SESOTL portion of the
program, thia parameter La no
lontar naed*d. Although thu
parameter la not needed in the
TOI-SCEZEN adaptation, thu
card ia it ill rend by the program
ao aa to not alter the eiiatiag
SgSOIL data.
9-1* for HOB-1 ug/cm2 RUmJ(2,MO»> or TRAI3D if the
13-10 for IOB-2 monthly amount of pollutant
21-26 for »B-3 tranaforaed (chemically,
biologically, or other) in
•12 upper aoil *one, end not
accounted for by individually
•lilting model ptoceeaei.
ug/«* RDm2(3.ini) or TEARSH ia the
mnntbly amount of pollutant
tranaforaed (ebeBically.
biologically, or other) in
the niddle aoil tone, and
not accounted for by
individually mating model
proeeaaei.
MTBM2(*,MO») or TRAVSl ia tha
monthly amount of pollutant
truaforaed (chemically,
biologically, or other) in tha
73-80 for Non-12 lover soil tone, and not
accounted for by indlviduelly
«iating model proceeael.
73-80 for
9-1* for »*-r
13-20 for HOB-2
21-26 for NOR-1
:
73-80 for MOH-12
9-1* for HDB-1 Ug/cm2
13-20 for NBB-2
21-26 for HOB-3
17
18
19
(81,1276.2)
(U.1ZM.2>
(8S.12F6.2)
RDBM2(S,nB) Real
or
SIMRD
RDHM2(6,NOB) Rul
or
SIBXM
sim
9-1* for IOB-1
13-20 for NOH-2
21-26 for MOI-3
73-80 foT MDB-12
9-1* for HOI-1
13-20 for HOI-2
21-26 for HOB-3
73-80 for MDR-12
9-1* for M»>1
13-20 for MDB-2
21-26 for HOB-3
:
73-80 tor HDB-12
ug/em2 RHRK2(S.»B> or SIHKU li tha
monthly amount of pollutant "loit"
by proceaiee not directly
deacribed by the model (e.g., plant
uptake) in the upper aoil cone.
ug/cn2 ROHH2(6,KOK) or SIHW n the
monthly amount of pollutant "loal"
by proceaiea not directly deicribad
by the model in the middle aoil tone.
ul/cmz RDBM2(7,MDII> er SINU n che
monthly amount of pollutant "loat"
by proceiaee aot directly deicribad
by the model u the lowr aoil tone.
20
21
(81,1216.2)
(8X.12I6.2)
(U.I 216.2)
ROna(B.HOB) Rul
or
LICD
RDm2(9.IOB) Rul
or
UW
Rimil2(10,MDB) Rul
or
UCL
9-1* far HOB-1
13-20 for MDB-1
21-26 for HOB-3
:
73-80 for MDB-12
9-1* for WB-1
13-20 for HDB-2
21-26 for HOB-3
73-80 for HOB-12
9-1* for HDB-1
13-20 for HOB-2
21-26 for HOB-3
ul/CB2 RUBH2(8,K>N> or LICD ia the
monthly ligand meat input to the
upper aoil aone.
ug/cm2 Rum2(9.HOB) or LICK ia the
monthly ligand meal input to the
aiddle eoll tone.
ug/cm2 RDBM2(10,HOR) or LIGL 11 the
monthly lignnd maai input to the
lover eoil eone.
73-80 for HOB-12
-------
45
Table J. (Concinuad)
Card Paraaacar Colim
(or Line) Format Bui Tyna Poaicion Dnita Dafinitiona and Conanta
Linaa 6-22 ara rapaacad IYM (aaa liaa 1) CIMI. Thli tabU aaauna ITIS la 1 for aiaplicicy. Linaa 1-22
can ba tapaacad for ID unllmicad nnmbar of aica-appllcaciona. Boca that, in tbia caaa, cba pataaacar RTT
from card 1 vould ba*a Co ba a dlffaraac niabar for aacb aica givan. For any parcicular coxputar run. cba
uaar vould nt JAPPL (••• Tabla 3) Co cha »ca RTT of utaraat. For cUcity, cbta Cabla aaauaa data for
only ona aica la givan.
23 (I1.JX.1U4) a Incaiar 1 (-> IT mac ba aac Co 9 hara. ic
aignifiaa thac tbia 11 cha
laac lina of cbia daca lilt.
TXTLI Charaecar 7-5* (-) Ticla can ba cha haadi.ni "END
OF FILZ" or any ochar heading
cha naar daairaa. Ic ta only
uaad aa a vnual aid Co cha
naar.
-------
46
Table 6. Model Flags Parameter Input Sequence
Card (or
Line) Format
Parameter Column
Hane Type Position
Definition
(A4,6X,A4)
AIRFLC Character 1-4
A1R?OL
Character 11-14
(right
justified)
(A4.6X.AA.6X.A4) LAKE
SEDUCE
Character 1-4
(right
justified)
Character 11-14
(right
justified)
TaiCOK Character 21-24
(right
justified)
Specifies the type
of air source.
Type POIH for a
point source, AREA
for an area source,
and NONE if there
la no air source.
Specifies physical
fora o£ the
pollutant. Type
PART in columns
11-14 for a
particulate or GAS
in columns 12-14
for a gas. This
parameter is
ignored if AIRFLG
is NONE.
If a lake is being
considered in the
simulation, type YES
in columns 2-4; if
not, type HO in
columns 3-4.
This parameter is used only
when LAKE is set to YES.
If the lake suspended
sediment concentration is
known or can be estimated,
type YES in column 12-14
and follow instructions in
Table 8. If unknown, type
HO in columns 13-14 and
follow instructions for the
parameter TEICOH belev.
this parameter is used only
when LAKZ is set to Its and
SEDUCE is set to NO. If
the suspended sediment
concentration of a
tributary flowing into the
lake is known, then type
YES itt columns 22-24 and
follow instructions in
Table 6. If unknown,
type NO in columns 23-24.
-------
47
Table 6. (Continued)
Card (or
Line) Format
Parameter Column
Name Type Position
Definition
(A4.6X.A4)
RIVER
SEDRIV
Character 1-4
(right
justified)
Character 11-14
(right
justified)
(A4.6X.A4)
ESTD
DISFLG
Character 1-4
(right
justified)
Character
11-14
(right
justified)
If a river is being
considered in the
simulation, type YES in
columns 2-4; if not, type
RO in columns 3-4.
•
The parameter is used only
when RIVER is set to YES.
If the total suspended
sediment concentration in
the river is known, type
YES in columns 12-14, and
follow instructions in
Table 8. Otherwise, type
HO in columns 13-14.
If an estuary is being
considered in the
simulation, type YES in
columns 2-4; if not, type
HO in columns 3-4.
This parameter is used only
when ESTD is set to YES.
If the longitudinal
dispersion coefficient for
the estuary is known, type
YES in columns 12-14, and
follow instructions in
Table 8. If not known,
type HO in columns 13-14
and follow instructions for
inputting the variable
TIDKAX (maximum tidal
velocity) in Table 8.
(A4)
(A4)
OCEAN Character 1-4 If an ocean is being
(right considered in the
justified) simulation, type YES in
columns 2-4; if not. type
NO in columns 3-4.
CHKFLG Character 1-4 This card is ignored if the
parameters LAKE, RIVER, ESTD,
and OCEAN all are set to NO.
However, if any of them are
set to YES, then type ACID if
the chemical is an acid, BASE
if the chemical is a base, and
NONE if the chemical is neither.
-------
48
Table 7. Air Parameters Input Sequence
Card
(or Line)
Parameter
Format
Type
Colu
Poaition
Dnita
Definition and Comments
(20Z.6E10.3) DV(MOB.ITR) Real
(20X.6E10.3) UV(HOI.IYR) Reel
(20X.3E10.3) DUG Real
HRATG Reel
AK Real
(20X,6E10.3) QS(MON.IYR) Real
(20X.6E10.3) QSOON.IYR) Real
21-30 for MOH-l.ITR-1
31-40 for MDH-2.ITR-1
41-50 for MOB-3.ITR-1
51-60 for MDH-4.ITR-1
61-70 for HOR-S.ITR-1
71-80 for MDR-6.IYR-1
21-30 for MOB-7.IYS-1
31-40 for MOR-8.IYR-1
41-10 for MDR-9,ITR»1
51-60 for MOB-lO.m-1
61-70 for WR-ll.ra-1
71-80 for MOB-12.m-l
21-30
31-40
41-50
21-30 for
31-40 for WH-2.ITR-1
41-50 for MOR-3.IYR-1
Jl-60 for HDH-4.ITR-1
61-70 for MOH-3.IYR-1
71-80 for WH-6.1TR-1
21-30 for MOH-7.ITR-1
31-40 for HOB-8.I7R-1
41-JO for MDH-9.IYR-1
Sl-60 for MOR-10,ITR-1
61-70 for HDH-ll.m-1
71-80 for MOH*12.rn-l
a/a nv(HOR.ITR) la the wind
(peed for month NOB and
year ITR. HDR-1 signifies
the month October. Columns
1-20 are ignored but can be
uaed to identify the data.
If JTRS>1 (JTRS - number of
m/a years - aee Table 3), then
cards 3 and 4 would include
OV(MOB,ITR) for the aecond
year, carda 5 and 6 would
include DV(MOH,ITR) for the
third year, etc. Thia table
assumes JKRS-1 for simplicity.
a/a Thia card ia alwaya needed.
UDG ia the dry deposition
velocity for gaaea. A default
value ia given in McDowell-Boyer
and Hetrick (1982).
(-) HRATG ia the weabout ratio for
gaaea. WRATG may be estimated
by 1/BC where H (M/M)
la Henry's conatant (McDowell-
Boyer and Hetrick. 1982).
AK ia the chemical degradation
rate in air.
kg/a Carda 4-10 are not needed if
AIRFLG ia aet to ROBE (aee
Table «). However, if AIRFLG
la either AREA or POIB, then
QS(MOR,m) la the pollutant
source rate for month K)H and
year ITR. Again, as above,
kg/a carda 6 and 7 would include
QS(MOH,IYR) for ITR-2 if
JYfiS-2, etc., but tbia table
assumes JTSS-1 for simplicity.
If AIRFLC ia aet to AREA, then line 6 would be:
6 (20X.1E10.3) CTTLTB Real
21-30
If AULFLC ia aet to POIHT, tben linea 6, 7, and 8 would be:
(20X.6E10.3) HMIX(KOR,IY&) Real
21-30 for HOR-l.IYR-1
31-40 for K>R-2,I1R-
41-30 for HOH-3.ITR-
51-60 for HOH-4.IYR-
61-70 for MOH-S.IYR-
71-80 for K>R-6.m-
.-1
Do not include thia line unless
AIRFLG is aet to AREA (see
Table 6). CTYLTB is the length
of the city or urban area - the
area is assumed to be square.
Do not include lutes 6-8 unless
AIRFLC is set to POIB (see
Table 6). RMIX(MOH.ITR) is
the mixing height for month MOB
and year ITR. JTRS aa defined
in Table 3 is 1 here for
simplicity. (If JYRS-2. carda 8
and 9 would be HJOKMDB.IYB) for
the aecond yeer, etc.).
-------
49
Table 7. (Continued)
Card
(et Line)
turn
tit*
Colon Policies
Doit.
Definition and
(20.6110.3) BMIZ(MW.rn) leal
(202.6B10.3) BS
78
SRAD
RBO
(Ml
Rial
Real
Real
Real
Real
11-30 for M)B-7.ITR»1
31-40 for M»-8.m-i
41-30 (or MW-9.IYI-1
Jl-60 for MOB»10.IT1»1
61-70 for HOH-U.ITl-1
71-80 for M»-12.m>l
21-30
31-40
41-JO
31-60
61-70
71-80
•/a
U 11 the icick height. AgiiD,
do aec include this line ualin
AlirtC 11 uc to FOIB.
TC ii ch« gravitational settling
Tolocity ot the pollutant. Sit
TG to 0.0 if did are unavailable.
ml* VS 11 the itack gas exit velocity.
• S1AD 11 che Kick radius.
kg/tr RBO la the stack gaa density.
j/kg ERFT is the enthalpy ot the
acack gaa.
Although values of RBO and ElfTPY
for vsrious gases are given in
HcDonll-Boyor and Betriek (1982).
if 1BO and ERTFT can not be
determined for the pollutant in
queation. just leeve them blank
and T02-SCRREB vill estimate the
buoyancy flux parameter F
(MeDovell-Boyer and Betrick. 1982,
and Briggs, 1969) as G*VS*SRAD*S1AD
vhere G la 9.8 m/s .
The neit line vould be card 7 if alRnc la AJOA, card 9 if AIMLC 11 POXB:
7 (202,2110.3) OD7 Real 21-30 m/i
or
9
Thil card 11 included only if AIRPOL
la let to FAIT and AIRFLG n either
ARZA or POIB. DDF ii the dry
deposition velocity for the
particulatee.
10
(202.1110.3)
leal
31-40
21-30
(-) WIATF 11 the vaihout ratio far
the partlculatei. Default valuei
are given in McDowell-Beyer and
Betriek (1982).
• Thie card la needed only vhen
AIS7LS Ii let to FOIR and all
the flaga UD. Rivn, SSTD,
and OCIAJf are aec to NO (aee
Table «), ilgnifying chat no
near body la being considered.
ZLEBS la che length of the plume
considered over the soil.
-------
50
tablo t. Bator taraanori Input tooBnca
Card
(IB.niO.l) DIH
aaal
Tbo out aoctloa of fee.. eax«a L - »,. »
i«a«ro cardo >L - *i if un 1< oft teTO.
I. C2CI.HIO.]) «in fell
^ (MI.IB)
(101.6110.3) BOB
(ioz.6110.1)
11-10 oo lao/1 MS*, i* tbo acid or booo
dlaooclacira cooataat.
If dWie (oao Toblo 1)
ii tea, thra BIB la « •
[I*] [l']/IUl.. If '
CDOTLO U hafli Ihn UK ia
t - uf] cui./rri
(JLJUnU-borar'aad latrick. 1M1I.
(Ul. ia tb* gaadurbod coacaatrotua
(oolfl) of tb aoanol fora aod tb
coaacatratiou of • . 01 . and
•' or* to aol/1.
(oao table t).
will folio, emit I U LtO U ut to
dor.6MO.J) mu
U*l
11-30 tor H»-l.rat-I
11-40 tot BHKI.m-1
41-50 Mr HM-l.rtl-l
11-60 (n B»-4,ni-l
tl-70 tor BO»-5.rBl-l
Il-M fat HW-t.ra-1
ii-so tec inHr.ra-i
31-40 lor BT»-»,rai-l
41-10 for •DtM.m-1
Jl-40 (or H»»10,rB-l
H-70 (or IDtMl.ni>!
71-to for onHii.ni-i
ii-jo tor m-i.rn-i
11-40 (or W»*l.m>l
41-30 for •Dt^l.m*!
ll-«0 (or BBl-4.ra.-l
tl-70 tar lt»-9,nB-l
Tl-M (or
11-30 (or »iw;.ra.i
11-40 tar H}l-«.nt-l
41-JO (or »Jl-».ni-l
11-40 tor VMO.m-L
tl-io tar aii-il,m-i
;i-«o tor m-ii.rn-i
B/O
•wreo mo iaco ibo Ufco for
raU HOI u4 you IB. MW-I
•IcaifUo too net a Oclobor. If
nu>l IJ1M-n«k*r ol furi -
OM lobl* 1) COM eirlo J, n«
4, KMU Ueiv«o aancial.m)
fn tko ioeop4 j««, «tc. Thlj
ublo aoooHi Jttl-1 for
•TaUCm.nSI ia tb* ovorata nlocilr
ol tb oatar (looia* *mt ol tb* Ub
la* ooatb OBI ood 7*u FB. Thjc la.
caaipao mu(MOI.rn) oa 0. /I/T,«a*t*
q. - lloo rat* oot of tho lab (o}/a).
4 • aorlae* arao of lab (a ). aad
* - wloao of lab (or), icala. thla
tabu aoooaoo tbo aoabr ol foaro J1EI-1
for ' ' '
(101,4110.1) AUAU Uol
tool
11-10
11-40
AUAII 1> tbo urtoco uio at Oa lib.
van U tko nonco votn dopth ol too
(101,6110.3)
•Ml
Sl-40
11-10
11-40
41-JO
11-tO
tl-70
oalo./l
.-1
IMI1 io cko dlftooeo of tk* for odio of
tho otarohod fro tbo Uko. Tklo
p-r«aotor io upot ooly «kra tkoro it •
paut ooarco unru u i» to mi -
•M Toblo 6).
aim ii (1*1 for tbo Uko. [1*1 - 10~'Bi
for pl-7. [1*1 - 1.01-7.
irosi of MOO Ukofl «ad driuoio b«i» KB
tho DBitod Itotot on tim u HcDowll-loTor
.ad btrick <1U1).
WL io tho photolriiB rat* «oa«t>Bt
for tho lab. Coloxi 1-20 iro icaotcd
hu cm* bo »od to UoatlfT tk« d«to.
VHL lo tho. hydrelTiii rato coootaat
for Ibo lab.
UOl U tbo oMidotioe. rot* umtcnt
for tbo lab.
HIM. la tho biodonaoatuo iat*
(or tbo Ub.
UETL i* tho voUtiliaation roto
coaatoat far tko Ub. II not
•TOlUbla, VITL «*r bo •icUotxl by
a oolbod |»*a u HeDoooll-lofor ood
•ad locrlefc U»«J).
*I»ia tabU cam bo itaorad if all tb* tUfi UB. 1ITB. HTV, aad OOil ua 4«t to •> (loo Tablo I).
-------
51
Table S. (CoKiotMd)
Card
Par
8HMWI
Raal
71-80
If SEDLH it TB8. OT if SEDUB la BO and Til GDI It YS8 (tit tabli 6). than carda
(20X.6I10.3) 8DCL
(KII.ITR)
(20S.6E10.3)
SEDCL
(MOI.ITI)
taal 21-10 for HOB-l.m-1 kg/*3
31-40 for MOB-2.ITR-1
41-30 far NOB-3,rn-l
51-40 for M9B-4.ITR-1
61-70 far HOa-5.ITI.-l
71-80 for MOB-6.ITR-1
Raal 21-30 far HOB- 7. ITS- 1 kg/»3
31-40 far H»-8.rn-l
41-10 for N9B-9.IYR-1
31-60 for MOB-10.1TR-1
61-70 for M>B-ll.m-l
71-80 for NOB-12.ITR-1
olaa/kg/ S1KSH. it tha toil-vatar
olaa/1 partition coafficiant for thi
laka. SUSHI* nay ba attioatid at
C« I oe)/100 iihara E
eiprietii adtarptiaa oa a unit organic
carbon batli. and (Z oc) it thi
parcantagi °' organic carbon u thi
taduent (HcOomll-Boyar and Batriek, 1982).
Betbodologioe far eitiaatug tha
paraaatart on thit lua can ba
found in Iraon, laahl, and
Roianblatt (1982).
- 8l would ba:
llhan 8ZDIO it tat to TES, than
SEDCL(MDB,rTR} ia tha avaraga tutpandid
aadiaant eoncantration in tha laka
for Booth MOB and yiar ITR. Bowovar,
if SEDUEK ia BO and TRZCOB it TES,
than SSDCl(MDB.m) it tha average
auapandad eedueat concentration in
tha tributary fining into tha laka
for nonth NOB and yaar ITR. Sadiaaat
concntrationi in ton* O.S. lakei ara given
in McDowell-Borer and Batriek (1982).
If both SEDLKE aad TRICOB ara tat to BO (tea Table 6), then eerd 7, u at follovi (there voold be no card 8, in thit
cate):
(2IB.3S10.3) DIASDT latl
OK8DT
DEBUT
teal
laal
21-30
31-40
41-30
I/em3
OIA8DT ia tha aadiaa lidlmint
diaattir in tha tributary that
flout into tha Uka.
DEHSDT it tha dimity of thi
tidinant in tha tributary.
DSBVT la tha daatity of tha
vatar in tha tributary.
8DBPT
8L07ST
taal
laal
31-60
61-70
• HDKPT it tha avarafa vatar
dapth of tha tributary.
(-> SLOFIT ia tha tlepa of tha
tributary.
Oafanlt or typical *aluaa for
DIASDT. DZBSDT, and 8LOPCT ara
(iTio in NcDaval 1-Boyar and
Batriek (1982).
Tha aazt tactioa of data, cardt 1. - 9(, vill follov tha
Bovmr. ignori cardt lj - 9g if EITIR it «at ta BO.
abora if RIVER la aat to TSS (in Tibia 6).
(20X.6E10.3)
mam
(HOB.m)
Raal
(20X.6E10.3) UMIBR Raal
(MOB .ITI)
(20S.6E10.3) WVELB Raal
(MOB.ITR)
(20Z,«E10.3> WVtlR Raal
(MOB.ITR)
21-30 for MDB-l.ITR-1 k(/t
31-40 for MDB-2.ITR-1
41-30 for MOB-3.ITR-1
31-60 for MDB-4.ITS-1
61-70 far HOB-3.ITR-1
71-80 for HDB*6.ITR-1
21-30 far MB»7.m-l kg/i
31-40 for MOB-8.ITR*!
41-30 for MB>9.ITR-1
31-60 for MOB-10.ITR-1
61-70 for HDB-ll.ITR*!
71-80 far MOB-12.ITR-1
21-30 far MOB-1, ITI-1 Wa
31-40 for MOB-2.ITR-1
41-30 far MDB>3,ITR-1
31-60 for MB-4.ITR-1
61-70 far WB-3.ITR-1
71-80 far MOB-6.ITR-1
21-30 for NDB-7.m-l •/!
31-40 for MOB-8.m-l
41-30 far MDB-9.ITR»1
31-60 for MOB-10.ITR-1
61-70 for IOB-ll.ITR-1
71-80 for HOB-12.ITR-1
H«B(K9B.ITR) it tha
pollutant tourea rati into
tha riTar far nonth MOB aad
yiar ITR. MDB-1 ti|nlfiat
tha month Octobar. If JTR8>1
(JTR8*nimbar of yaart - taa
Tabla 3), than cardt 3. -
4. maid ucluda
fo
for tha tacoad yaar, ate.
Hara. JTRSM for tiaplicity.
WVEU(HOI.m) it tha anraia
nttr Talocity of tha riTar
for nonch NOB aad yaar ITR.
Again, thit tabli atiuBai tha
aunbar of yaart JTRS-l far
tuaplieity.
-------
52
Table B. (Continued)
Card
Parameter
jt (20i.no) n
(2
21-10
11-40
41-90
91-60
21-10
UZOB
UUR
SVKSVB
Baal
IMl
Baal
Baal
iMl
Bail
Baal
Ull
Dlea/1
.-1
11-40
41-90
51-60
61-70
71-80
If 30117 la TBB, than carda 8, - 9, oould bo dee table 6):
8. (201.6810.3) aEDCB Baal
(20Z.6B10.1)
SBDCB
(HOB, in)
Bui
21-30 for MOB-l.ITB-1
11-40 for HOB-2,in-l
41-90 for MOS-3.ITH-1
91-60 for M9B^4,1TB-1
61-70 for M9B-9.ITB-1
71-10 for M>B>6,ITB>1
21-10 for MOB»7,m-l
31-40 for H9B-B.ITB-1
41-90 for M9B>9,ITB-1
31-60 for IBB-10.m-l
61-70 for M)H-11,IT»-1
71-80 for K)B-12,ITB-1
kg/a3
BB ia the number of reachee
that tha river 11 broken into.
The laat digit of thia number
•uit bo typed in column 30. Thu
number watt be £ 20 became of
dimanaioning in tha program.
ULBBB ia the length of each river
reach. (TOZ-SCBBEB aaaumei all
river raachaa have the uma
dimenaiona).
WIDB ii the iverage vidth of tho
river.
WDBPB 10 tho average depth of the
river.
BPLDSB ta (|*l for the river.
io-»B.
IB*]
.-1
oloa/kg/
oloa/l
VKFB la the photolyaii
rata conatant for tho
river. Colunma 1-20 era
ignored but can bo uaed
to identify the data.
WBEB ia tha hydro lye 11
rato conataat for the river.
HUB 11 tha oxidation
rata conatant for the river.
HOB la the biodogradation
rata eonatant for the river.
WIVB ia the volatiliaation
rate conatant for the river.
If not available. VBVL nay be
eitimatad by a method given in
HcDovoll-Boyer and Betrick (1982).
SHKSVB ii the aoil-vater
partition coefficient for tho
river. 3VBSVB may be eatimatad
•• (K I oc)/100 .here I,.
exprelloi adaarption on • unit
organic carbon baaia, and (Z oc)
LI tho percentage of organic
carbon in tho lediment (MeDovoll-Boyor
and Betrick, 1982).
Hethodologiea for aatimating the
parameter! on thia line can be
found in Lyman, Baehl, ind
Boienblatt (1982).
SBKB(HOB,ITB> 11 the average
impended icdimnt concintration
in tho river for month NOR and
yair ITB. Again, JTBS>1 hero
for unplicity.
-------
53
Table S. (CoatiBuod)
Far
If SSDSIV ia BO (aee Teble 6). then card Sg la aa follow! (there would be ao card 9j ia thla caaa):
(201.4X10.3)
Dmra
SLORI
laal
Seal
laal
Seal
11-30
31-40
41-30
91-60
am DUSDB la tha median eedlamat
diameter ia Che river bed.
tlcm3 DBBSM ia the aedimeat
danalcy ia the river.
S/cm1 DSBWS ii the deaaity of
tba water ia the river.
(-) SLOPSS la the alope of tbe
river bed.
Default or typical valuae for
DUSDB, DHBBBB, aad SLOPES are
given in McDowell-Beyer aad
Betrlck (1982).
Tba Beat aactwn of data, carda 1. - *.. will folloi
Bomver. ignore earda 1, - 9( if MTU fe aac to 10.
will follow the above if ISTD ie aet to TBS dee Table 6).
COX.6110.3) UMin . U>1 Xl-30 for M»-l,m-l ki/i
(MOI.RI) 31-40 for HDB»2.rn-l
41-30 for NDB-3,rn-l
31-60 for HO»-4,ITt-l
61-70 for MOB-5.1TE-1
71-80 for WB-6.ITI-1
(20Z.6S10.3) WHIR Ual 11-10 for MOB-7.ITS-1 k|/>
(NOB,ITS) 31-40 for HDS»8,ITI-1
41-90 for MOB-9.ITS-1
31-60 for HDB-lO.ITR-l
61-70 for »B-11.ITB-1
71-80 for HDI-12.ITS-1
(20Z.6110.3) HVSU Seal 21-30 far MB>1.1TS-1 •/•
(MOI.ITR) 31-40 for MDB-2.ITS-1
41-30 for HDB>3.in-l
91-60 for HOIC-4.ITS-1
61-70 for WB-S.m-1
71-80 for MOI-6.ITS-1
«Min(MOB,ITS) 10 the pollutant
•ource rate lato cha estuary
for ooath MOB aad year ITS.
NOB-1 aiiaifiea tbe aaath
October. If JTU>1 (JTB3- gumbai
of yaari - iae Table 3), thaa
carda 3. - 4, nuld
iaelud«TIXlrt(MO»,rtI) for the
•econd year. etc. Bora, JTES-1
for aiaplicity.
WVtUdDB.ITS) 11 tbe fraib
vatar velocity u tbe aituary
for Boath MOB aad year ITS.
Ataia. for clarity, tha number
of yeara JTB5-1 11 aaeiiaed.
(201.6110.3)
WVE1I
(MOB.ITS)
(201,110) BFT8I
Saal 21-30 for MDB-7.ITS-1 a/a
31-40 for K)B-8,IT1-1
41-30 for KW-9.ITR-1
31-60 for NOB-10.ITS-1
61-70 for MOB-ll.m-1
71-80 for MDB-12.ITI-1
Inttfer 21-30 (rl»bt juatified) (-)
(20Z.6B10.3)
WHIDI
VDEFB
n
leal
Raal
laal
Seal
21-30
31-40
41-90
31-60
BFT8B ia the amber of poute
both opitreaa aad dovottriu of
the pollutant aoarca that
TOE-SCIBB coaputti aad output!
pollataac coiceacrationa. Tha
lalt dUlt of thia niBBber mat
be typed u column 30. Tail
umber enat be < 10 becaaae of
dlaaaiioau* la cbe progru.
VIXBB ia tha loB8th of the
eituary.
WIDI ia tba avarise width of
tha aatuary.
WDtn ia tba average depth of
tha aatuary.
BL la tbe longitudinal
diiperaioa coefficiaat. If
DISne ia let to T8S (ua
Table 6). than a value mat be
eatered here. Bowever, if
DIIITC ia let to BO, leave
colnoae 91-60 bleak.
-------
54
TabU 8. (Continued)
bid
or Lin*
Faraa*tar
Dafiaitlonf and Coi
TIDMX
Ual
61-70
ml* TIMUX it tha auiauai tidal
velocity. Thu pataawtar 11
ignored ualaaa OISFLC la aat to
BPLOSS
(201,6110.])
raft
svun
teal
teal
teal
teal
teal
teal
teal
71-80
21-10
31-40
41-50
31-60
61-70
71-80
•Blaa/1
'1
'1
'1
.-1
•olaa/kg/
BBlaa/1
(20X.6B10.1) 8BDCI teal
(HOB,ITK)
(20Z.6B10.3) 8BOCB teal
(MOB. in)
Th* a*zt (action of data, carda 1. - 9.
Bovcvcr. igaor* carda 1 - 9 if OCBAB i
21-30 for MDB»l.m»l kg/at3
11-40 far HDB-2.in-l
41-50 for MDB-l.in-1
51-60 for MDB-4.in-l
61-70 for MDB>5,in»l
71-M for MDB»6,in-l
21-10 for H08-7.m-l kg/m3
11-40 for MDB-8.in-l
41-50 for MDB-9,m-l
51-60 for MDB-10,m-l
61-70 for HDB-ll.m-l
71-M for MDB-12,m-l
•ill follow the above if OCBaB ia iat to TE8 (ae* Table 6).
i* a*t to BO.
BPLOSB ia [B*l for the
a.tuary. (8*1 • NT*8.
WIPB la tha photolyaia
rata coaataot for tho
aetuary. Column! 1-20 ara
ignored but can ba uaad
to identify th* data.
VBBB ia tba hydrolyaii
rata coaatant for tha eatuary.
VKOB ta th* oxidation
rata eaaataat for th* aetuary.
«BI ia th* biodatradation
rata eoaataat for tb* aatuary.
VKVB la tba nlatiliiatwa
rat* conataat for tha aatuary.
If net availabl*, VKVE may ba
•atiaatcd by a Mtbod g»*n in
HcDomll-noyar and Ha trick (1982).
SHBSVB ia th* aoil-natar
partition eoafficuat for th*
•ataary. SVUVB *my b* *atuut*d
aa (K X oc)/100 iihar* K
•zprciia* adaorption on a unit organic
carbon baaia, and (Z oc) ii tba
p*re*ntaga of organic carbon in cba
laduant (McDovall-ftoyar and
Batrick. 1982).
Matbodologiia for eatuatint tha
paranatara oa thil lino can ba found 10
Lyavn. laahl, and Io«*nblatt (1982).
SIDC: OBI .ITS) ia th* a**rag*
auap*nd*d aidiawnt concentration
in tha aatuary for noncti NOB and
y*ar m. 8*din«nt coaciatration*
in ae*M U.S. •atuariaa ar* 8i*an in
HeDomll-Boy*r and Batnck (1982).
(20X.6B10.1) VCIBO teal
(MDI.ITI)
(20Z.6B10.1) VCIBO teal
(MOB.ITt)
(201.6110.3) VVSLO teal
(MOB.IT*)
21-10 for MOB-l.in-1 kg/e>
11-40 far MDB>2.in-l
41-50 for MDB-l,in-l
51-60 for MDB-4,in-l
71-80 for MOB-6.in-l
21-10 for HDB-7.m-l kg/m1
31-40 for NDB»8.m>l
41-50 far MOB>9.m-l
51-60 for ms-io.rn.-i
61-70 for MOB-ll,m-l
71-80 for (BB-12.m-l
21-10 far MDB*l.m-l mlt
11-40 far IOB-2.IT1-1
41-50 for WB-3.IT1-1
51-60 for HDB-4.IT1-1
61-70 for MDB-5.m-l
71-80 for MOB-6,in-l
HCIBO(MOB.in) U 0.02 tin*i
th* concentration of th*
affluant ta In* ocaan for month
HOB and yaar in. Th* dilution
factor 0.02 aaauwa atata-of-tha-art
anguaariBg practicaa for ocaan
outfall daaigna (McDavall-Boy*r
and Batrick. 1982, Noral at al..
1975). MOB-1 aignifiaa th* moth
of Octobir. If JT»>1 (JTU - nuabat
of yaan - aaa Tabl* 3) tb*n carda
3. - 4 voold uclud*
veiBO(HoB,in) for th* aacond
y*ar. ate. Thia tabla aaauaai
JTES-l for aioplicity.
KVtLO(»B.in) la th* ocaan
currant velocity for nonth
NOB *ad y*ar in. Atain.
JTES-l bar* for naplicity.
-------
55
TabU a. (Continuod)
Card
(ar Lino)
FaranBtar
(2oz,6sio.3) vvno
(wi. in)
(201.3810.3) BO
21-30 for Ml-7,m-l
31-40 (or NDB-8.R01
41-30 for MDB-9.ITE-1
31-60 (or HDS-10.IT1-1
61-70 for WS-ll.rfl-i
71-80 for HDI-12.R1-1
21-30
ZOOM
HP10SO
60 (20Z.6S10.3) VDO
WOO
HUO
WCVO
Baal 31-40
Baal 41-30
Baal 21-30
Baal 31-40
Baal 41-30
Baal 31-60
Baal 61-70
laal
71-80
Bolaa/1
.-»
a-1
a'1
.-'
.-1
Blaa/k|/
Blaa/1
(201.110) irno
(20X.6S10.3) 8BDCO
(HOI. in)
(20X.6E10.3) 8IDCO
(MM, in)
Baal
Rail
21-30 (riihc jnati(iad) (-)
21-30 for IWMl.m-l k«/>3
31-40 for MS-2.ITI-1
41-30 for MB-S.m-l
31-60 for H0»-4.m-l
61-70 for M)»-3.in-l
71-80 for WE-6.IT1-1
21-30 for ICB.7.m-l ki/»3
31-40 for WI-8.ITR*!
41-30 for MB-9.IT1-1
31-60 for Wl-lO.m-t
61-70 for MB-ll.ITB-1
71-80 for HOI-12,m-l
10 ia tha lanfth of cha lisa
aoareo. or cha initial vidth
of tha affluant fiald. Dafault
valuaa ara |iTaa ia McDovaLl-Boyar
and Bacrick (1982).
ZOCSil la tha diitaaea botvaan pointi
u tha ocamn at vhieh TOZ-SC&EEH
coiputaa and output! pollutant
eoneantrationa.
BPL080 ia
[H*l - 10-
8*1 for tha ocoan.
WDO la tha photolyaia
rata conatant for tha
oeaan. Columna 1-20 ara
Unorod but can bo uaad
to idantifr tha data.
MD10 ia tha hydro lyiii
rata conatant for tha ocaan.
WHM ia tha oxidation
rata conatant for tha ocaan.
VDO la tha hiodairadation
rata eonatant for tho oeaan.
VSTO la tho volatilnation
rata conatant for cha ocaan.
If not availabla, Vtn may ba
oatiwtad by a Bit hod |»an u
McOovoll-Boyar and Batrick (1982).
8VMVO ia tho aoil-vntar
partition coofficiant for tha
ocoan. 8VK8VO nay ba aitiaacad
aa <* X oc>/100 >hara (.,
azpraliai adaerption on a unit
organic carbon baaia, aad (Z oc)
ia tho parcantaf* of orianic carbon
in tho aodinwnt (McOovall-Boyor and
Botrick. 1982).
Nathodolotioa for aatuatins tha
paruotora on thia lina can ba found
IB Lyman. laahl, and kaianblatt (1982).
BPT80 ia tha ninibar of pointa
froB tha pollutant aourca that
TOX-8CUZH coBButaa and outputa
pollutant eoncanlratiani. Tha
laat ditit of thia nuabar Buac
ba typad in coluBn 30. CTTSO
auat bo < 10 bacauao of
alBanaionuf in cha prograB.
StDCO(HDI.ITI) 11 tha >Tara|a
•uapandad aodiaant concantration
in tho ocaan for Booth NDI and
7«ir in. Asa in, JTOS-l hara
for llBpllcity.
-------
56
Table 9. Bioaccumulation Parameters Input Sequence
Card
Parameter
tion Onit«
(AA)
COVFLC
Character 2-4 (-)
(right justified)
(20X.3B10.3) SOW
Real
R Real
TV Real
LAMBDA Real
TB Real
21-30
31-40
41-50
31-60
61-70
.7.2
day-'
-------
5. DESCRIPTION OF CODE OUTPUT
Section 4 (Table 2) listed the different output files that can be
written during TOX-SCREEN execution on the ORNL PDP-10 computer. This
section gives a more detailed description of what is written into each
output file. The reader is referred to Appendix D, which contains the
TOX-SCREEN output that was written during execution of TOX-SCREEN using the
sample input data from Appendix C.
5.1 OUTPUT FROM SESOIL PORTION OF TOX-SCREEN
Output from the SESOIL portion of TOX-SCREEN is written into a
separate file (see file FOR06.DAT in Table 2 and Appendix D). The input
data to SESOIL are written first so that the user can determine if they
were input correctly. This section of the output is self-explanatory. The
monthly results from SESOIL are given next for' the first year of
simulation. The hydrologic cycle components are written first. These
results include monthly values for soil moisture, precipitation, net
infiltration, evapotranspiration, surface runoff, and groundwater runoff.
Next, the output states what kind of water body was considered in the
simulation and the soil area next to the water body that has been
contaminated. If, for example, the first water body considered was a lake,
subsequent output would include results specific to the fact that the water
body was a lake. These results include (1) the monthly pollutant mass
input to the soil column, (2) the monthly pollutant mass distribution in
the soil column (in surface runoff, volatilized, etc.), (3) the monthly
pollutant concentration in the soil column (includes pollutant
concentration in soil moisture (pg/ml), in soil adsorbed phase (ug/g), and
in the soil air or vapor phase (yg/ml)), (4) the maximum depth that the
pollutant reaches each month and (5) an annual summary report of the
hydrologic cycle components and items (1) - (4). If the only water body
considered in a simulation was a lake, then this file would end here.
57
-------
58
Otherwise, results for the water body being a river (if considered) are
given next, followed by results for the water body being an estuary (if
considered).
The contaminated soil area is printed only for the first month in a
simulation for each water body type considered. If there is a point source
in the air compartment, this area could change slightly each month due to
different monthly wind speeds, since the plume size determines contaminated
soil area size.
No results are ever given in this file for oceans since at the present
time TOX-SCREEN does not consider interaction with the soil compartment in
this case. If no water body is considered in a particular simulation
(i.e., soil-air interaction only), then before the results (1) - (5) above
are printed, a message is written stating that no water body was included
in the calculations. The contaminated soil area is printed also.
5.2 OUTPUT OF TOX-SCREEN INPUT DATA AND ERROR MESSAGES
A separate output file (see FOR13.DAT in Table 2 and Appendix D)
contains tables of all input data (excludes SESOIL data). These tables
enable the user to determine whether or not the data were input correctly.
The first table written into this file contains information about the model
flags. The computer name, the option chosen, and the definition are given
for each model flag. Notice in the sample output of Appendix D that the
flags LAKE, RIVER, ESTU, and OCEAN were all YES signifying that all four
water bodies were considered in the sample computer run and different
results were computed for each.
Following the model flags table is a table containing the input data
for the air compartment parameters. For each air parameter, the computer
name, definition, unit, and numerical value (or values if monthly) is
given. If an ocean is the only water body considered in a simulation
(i.e., LAKE, RIVER, and ESTU are NO, but OCEAN is YES), then this table is
not printed since no air data are needed in this case.
-------
59
A table containing the input data for the water compartment parameters
is printed. Again, the computer names, definitions, units, and numerical
values are given. At the beginning of this table, a constant is given that
is not water body dependent. Next, water body dependent parameters are
given. If any or all of the water bodies are not selected, corresponding
sections of the table would not be written.
Following the water compartment parameters table is another table
showing the types and magnitudes of the source terms. This table shows
which compartments (air, water, soil) have sources, which water bodies are
considered, the geographic region under consideration, and the monthly
magnitudes for each source.
Where feasible, the TOX-SCREEN computer code checks the input data and
if an error (an obviously illogical value or choice) is detected, a message
is printed into this file (FOR13.DAT) and execution stops. For example,
the parameter LAKE must be either YES or NO. If LAKE is input incorrectly,
the following message will be written into this file: "ERROR IN DATA: LAKE
DOES NOT EQUAL YES OR NO, BUT «= ", where is the incorrect data.
Numerous other checks such as this one can be found in the computer
program. Also, some checks are made during actual execution of TOX-SCREEN
(i.e., after the input data are read). If errors are detected, messages
will be written into this file. Thus, the user should always check this
output file (FOR13.DAT) very carefully, especially if execution stops
prematurely.
5.3 OUTPUT WHEN WATER BODY IS A LAKE
A separate output file (see file FOR14.DAT in Table 2 and Appendix D)
presenting results in all media is printed when a lake is specified as a
water body being present in a TOX-SCREEN run. These results include
monthly pollutant concentrations and media interaction terms. The
contaminated surface area of the lake and soil area next to the lake are
printed first. Thereafter, two lines of results are printed for each
month. These two lines are labeled clearly. The first line contains
-------
60
pollutant concentrations in yg/m for each compartment. These results
include (from left to right) maximum and average air concentrations, water
concentrations in the dissolved neutral, dissolved ionic, and adsorbed
forms, soil concentrations in the upper, middle, and lover soil zones, and
the pollutant concentration in air due to resuspension from soil. This
latter concentration is included in the maximum and average air
concentrations as well. If there is an atmospheric area source, asterisks
are printed for maximum air concentration since TOX-SCREEN assumes that the
maximum and average air concentrations are the same in this case
(McDowell-Boyer and Hetrick, 1982).
The second line of results for each month contains the media
interaction rates in Mg/mon. These results include (from left to right)
deposition rates from air to water and soil, volatilization rates from
water and soil to air, surface and groundwater runoff from soil to water,
and washload (erosion by water) from soil to water (see McDowell-Boyer and
Hetrick, 1982).
This file (FOR14.DAT) is not written if the parameter LAKE is set to
NO in the input data, providing any of the parameters RIVER, ESTU, or OCEAN
are set to YES. However, if all the flags LAKE, RIVER, ESTD, and OCEAN are
set to NO, signifying that TOX-SCREEN considers only soil-air interactions,
then the results from such a simulation will be written into this file.
This case is discussed further in Section 5.8 below.
5.4 OUTPUT WHEN WATER BODY IS A RIVER
As for the results when a lake is specified, TOX-SCREEN output for a
river simulation are written into a separate file (see file FOR15.DAT in
Table 2 and Appendix D). The output format for the river results is
identical to that for the lake with the exception that the pollutant
concentrations in the water are printed for each reach in the river (the
number of reaches is specified by the user in the input data - see Table
8). As shown in the sample output in Appendix D, the reach number is
identified by the computer name IR. This file is not written if the flag
RIVER is set to NO (see Table 6).
-------
61
5.5 OUTPUT WHEN WATER BODY IS AN ESTUARY
A separate output file is printed showing results when an estuary is
considered (see file FOR16.DAT in Table 2 and Appendix D). Again, the
output format for the estuary results is identical to that for the lake
with the exception that the pollutant concentrations in the estuary are
printed at different points both upstream and downstream of the source.
The parameter X in this file is the distance from the source in meters.
Values are given for points upstream and downstream of the source (-X is
used for upstream and +X for downstream). The number of points at which
concentrations are printed is specified by the user (see Table 8). This
file will not be printed if the flag ESTU is specified by the user to be NO
(see Table 6).
5.6 OUTPUT WHEN WATER BODY IS AN OCEAN,
Since TOX-SCREEN does not consider interaction with the soil and air
compartments when the water body is an ocean, the output file in this case
(see file FOR17.DAT in Table 2 and Appendix D) contains only monthly
concentrations in the water. Pollutant concentrations in the water are
given in the dissolved neutral, dissolved ionic, and adsorbed forms at
different distances from the source. The number of points from the source
that TOX-SCREEN computes and outputs results and the distance between these
points are specified by the user in the input data (see Table 8). This
file is not written if the flag OCEAN is set to NO (see Table 6).
5.7 FOOD CHAIN BIOACCUMULATION OUTPUT
As mentioned in Section 3, the food chain bioaccumulation model has
been added to the TOX-SCREEN code recently. Thus, the results (from
subroutine BIOCHN) are written into a separate output file (see FOR19.DAT
in Table 2 and Appendix D). Unlike the other output files, this file
includes both a table of the input data for and a table of the results of
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62
the food chain bioaccumulation model. The food chain flag COVFLG and its
definition are printed first. If this flag is input incorrectly, an error
message is printed and execution stops. If this flag is input as YES,
signifying that the compound is a covalently bonding compound, then the
message "BIOACCUMULATION CANNOT BE ESTIMATED BY THE EMPLOYED METHOD" is
printed. In this case, the model cannot be used and no other information
is written (for more information, see Appendix F). However, if COVFLG is
NO, then the input parameters for the food chain model are written next.
For this case, as shown in Appendix D, the computer name, definition, unit,
and value is given for each bioaccumulation parameter. A printout of the
bioaccumulation factors (aquatic, plant, and animal) follows. These
factors are discussed in Appendix F.
Next, a table of the monthly concentrations in aquatic organisms and
terrestrial plants in pg/g is given. Two columns of numbers are given if
the water body is a lake, river, or estuary; one for the monthly aquatic
results and the other for the monthly plant results. For oceans, only
monthly aquatic results are given since the soil compartment is not
included in this case. If no water body is considered in the simulation
(i.e., the flags LAKE, RIVER, ESTU, and OCEAN are NO), then results are
given only for plants since TOX-SCREEN considers only soil-air interaction
in this case. These results are given in the last column of this table.
The results for the water bodies would all be zeros if this option is
chosen. Likewise, if a particular water body is not considered, zeros are
printed in the appropriate columns. A discussion of the methods used in
computing the numbers in this table is included in Appendix F.
This output file ends with a caution note stating the limitations of
the methods used in the food chain bioaccumulation model. These
limitations are discussed further in Appendix F.
5.8 OUTPUT WHEN NO WATER BODY IS CONSIDERED
When TOX-SCREEN does not consider the water compartment (i.e., flags
LAKE, RIVEK, ESTU, and OCEAN are all set to NO), the results are written
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63
into file FOR14.DAT on the local PDP-10 computer (see Table 2). That is,
the sane unit output device number is used in this case as used for
printing results when a lake is considered. The format of this output file
is identical to that explained in subsection 5.3 above except that a
message is printed that no water body is considered and, of course, the
surface area of the water is not printed. Also, asterisks are printed
under the columns for the water concentrations, the deposition rate on
water, and the volatilization rate from water since these values are not
included in this option. If there is an area air source, asterisks are
printed for maximum air concentration since TOX-SCREEN assumes that the
maximum and average air concentrations are the same in this case
(McDowell-Boyer and Hetrick, 1982).
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6. DISCUSSION
This report has provided a description of the TOX-SCREEN model, and
subroutine structure of, input requirements and format for, and description
of output from the TOX-SCREEN computer code. All of the subprograms of the
TOX-SCREEN code (with the exception of the SESOIL portion of TOX-SCREEN)
have been tested by doing preliminary stand-alone computer runs for each
routine. For example, the results computed by subroutine WATER were
checked by writing a driver routine that supplied WATER with the
appropriate parameters. These results were compared to hand or calculator
computations. Also, any changes made to the SESOIL portion of TOX-SCREEN
were checked by making sure that results obtained after the changes were
made were equal to the initial results. Once the subroutines were all put
together to form TOX-SCREEN, numerous additional checks were made to insure
the results were correct. Thus, much effort was put forth in checking and
rechecking code calculations.
The input data (Appendix C) used for the sample computer run that
produced the output in Appendix D were hypothetical. Default values were
used for many of the input parameters (see McDowell-Boyer and Hetrick,
1982). It was the authors" intent to show the capabilities of the model
through use of this example, not to show an actual application.
The assumptions used in the TOX-SCREEN model have been discussed in
both this report and the companion report by McDowell-Boyer and Hetrick
(1982). However, the user should be made aware of the following points
when water bodies are considered. First, the treatment of bases assumes
that the base is a negatively charged ion and that the ionization reaction
is (McDowell-Boyer and Hetrick, 1982):
R. TJ A • ^** PIT u. OH
T nAu _ AH T \ja .
For example, if ammonia (NH?) is input, the assumed ionization is:
NH + HONH+ + OH~.
65
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66
TOX-SCREEN will report the concentration of ammonium ion [NH^ ] as the
concentration of its dissolved neutral species. Further, it will
volatilize the ammonium ion rather than NH-. Second, the user should be
warned that ionized and adsorbed species are presumed not to undergo
transformation reactions, that adsorption of ions via ionic exchange
processes is neglected, and that capture of the chemical of concern by the
resident bed sediments is ignored. The resident bed sediments, and
toxicity to the benthic infauna, are of major concern in many TSCA
evaluations. In some cases, neglect of the resident bed sediments is not a
conservative assumption. The resident bed sediments will be considered in
future work on the TOX-SCREEN model.
It is hoped that TOX-SCREEN can be used as a screening device in
identifying chemicals that are highly unlikely to pose a problem even under
conservative assumptions. Advances in understanding and prediction occur
through the cycles of model development and applications. Preliminary
results obtained from a TOX-SCREEN application with source data for
trichloroethylene are encouraging. Applications and results will be
documented in subsequent reports.
-------
REFERENCES
1. Bagnold, R. A., An Approach to the Sediment Transport Problem
from General Physics. Geological Survey Professional Paper 422-1,
U.S. Government Printing Office (1966).
2. Bonazountas, M. and J. Wagner, SESOIL; A Seasonal Soil Compartment
Model. Draft Report, Arthur D. Little, Inc., Cambridge, Mass.,
Prepared for the U.S. Environmental Protection Agency, Office of
Toxic Substances (1981).
3. Briggs, G. A., Plume Rise. TID-25075, U.S. Atomic Energy Agency,
Division of Technical Information (1969).
4. Brooks, N. H., "Diffusion of Sewage Effluent in an Ocean-Current,"
pp. 264-7 in Proceedings of the First International Conference on
Waste Disposal in the Marine Environment. Pergamon Press (1960).
5. Browman, M. G. and G. Chesters, "The Solid-Water Interface:
Transfer of Organic Pollutants Across the Solid-Water Interface,"
pp. 49-103 in Fate of Pollutants in the Air and Water Environments
Part 1. Vol. 8. I. H. Suffet (ed.), John Wiley and Sons, Inc.,
New York.
6. Browman, M. G., M. R. Patterson, and T. J. Sworski, Formulations
of the Phvsicochemical Processes in the ORNL Unified Transport
(UTM-TOX). ORNL/TM-8013, Oak Ridge National Laboratory (1982).
7. Burns, L. A., D. M. Cline, and R. R. Lassiter, Exposure Analysis
Modeling SYSTEM (EXAMS); User Manual and System Documentation.
EPA-600/3-82-023, U.S. Environmental Protection Agency, Office
of Research and Development (1982).
8. Chamberlain, A. C., "Interception and Retention of Radioactive
Aerosols by Vegetation," Atmos. Environ. 4:57-78 (1970).
9. Fields, D. E., CHNSED; Simulation of Sediment and Trace Contaminant
Transport with Sediment/Contaminant Interaction. ORNL/NSF/EATC-19,
Oak Ridge National Laboratory (1976).
10. Forsythe, G. E., M. A. Malcolm, and C. B. Moler, Computer Methods for
Mathematical Computations. Prentice-Hall, Inc. (1977).
11. Gifford, F. A., and S. R. Hanna, "Modeling Urban Air Pollution,"
Atmos. Environ. 7: 131-6 (1973).
67
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68
12. Hanna, S. R., "A Stability Correction Term for a Simple Urban
Dispersion Model," pp. 242-8 in preprints for the Joint Conference
on Applications of Air Pollution Meteorology. Salt Lake City,
November 29-December 2, 1977, American Meteorological Society,
Boston, Mass. (1977).
13. Laursen, E. M. , "The Total Sediment Load of Streams," Paper #1530
in Proceedings of ASCE 84, HY1 (1958).
14. Lyman, W. J., W. F. Reehl, ad D. H. Rosenblatt, Handbook of Chemical
Property Estimation Methods. McGraw-Hill Book Company (1982).
15. McDowell-Boyer, L. M. and D. M. Hetrick, A Multimedia Screening-Level
Model for Assessing the Potential Fate of Chemicals Released to the
Environment. ORNL/TM-8334, Oak Ridge National Laboratory (1982).
16. Morel, F. M. M., J. C. Westall, C. R. O'Melia, and J. J. Morgan,
"Fate of Trace Metals in Los Angeles County Wastevater Discharge,"
Environmental Science Technology 9(8): 756-61 (1975).
17. NAGFLIB - Numerical Algorithms Group FORTRAN Library Manual,
HK8, January 1981.
18. Pasquill, F. , "The Estimation of the Dispersion of Windborne
Material," Meteorol. Mag. 90: 33 (1961).
19. Smith, J. H., W. R. Mabey, N. Bohonos, B. R. Holt, S. S. Lee,
T. W. Chow, D. C. Bomberger, and T. Mill, Environmental Pathways
of Selected Chemicals in Freshwater Systems. EPA 600/7-77-113, U. S.
Environmental Protection Agency (1977).
20. U.S. Nuclear Regulatory Commission, Estimating Aquatic Dispersion of
Effluents from Accidental and Routine Reactor Release for the
Purpose of Implementing Appendix I. Revision 1, Regulatory Guide
1.113 (1977).
21. Zison, S. W., K. F. Haven, and W. B. Mills, Water Quality Assessment;
A Screening Method for Nondesignated 208 Areas. EPA-600/9-77-023,
U.S. Environmental Protection Agency, Office of Research and
Development (1977).
-------
APPENDIX A
IMPORTANT PARAMETERS AND THEIR DEFINITIONS
69
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The parameters in this appendix are listed in alphabetical order. To save
space, parameters that are similar are listed together. For example, the
dissolved fraction o^ is different for each water body, but the parameter
names are Al?, where .1 is .E for estuary, L for lake, .0 for ocean, and R. for
river. Parameters of this type are listed with only one definition in this
appendix.
PARAMETER
DEFINITIONS
COMMON/SUBROUTINE
A1E
AIL
AIR
Undissociated dissolved fraction
CL , for estuary, lake, ocean and
river, respectively.
COMMON/ALPHAS/
A2E
A2L
A20
A2R
Dissolved ionic fraction a,
for estuary, lake, ocean, and
river, respectively.
COMMON/ALPHAS/
A3E
A3L
A30
A3R
Fraction adsorbed to sediment
a, for estuary, lake, ocean,
and river, respectively.
COMMON/ALPHAS/
ACMAXE
ACMAXL
ACMAXR
ACMAXS
Maximum air concentration
o
calculated in Ug/m when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
COMMON/OUT/
AIRFLG
Specifies the type of air
source. AIRFLG B POIN implies
point source, = AREA implies
area source, and = NONE implies
there is no air source.
COMMON/FLAGS/
71
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72
AIRPOL
Specifies the physical form of
the pollutant. AIRPOL « PART
implies particulate and = GAS
implies gas.
COMMON/FLAGS/
AK
Chemical degradation rate in
-1
air in s
COMMON/AIRPAR/
ARE
ARL
ARR
ARS
Surface area of the soil in
2
cm affected by pollutant
contamination when estuary,
lake, river, and soil (i.e.,
no water body) option,
respectively, is considered.
COMMON/SPARE/
COMMON/ SPARI,/
COMMON/SPARR/
COMMON/SPARS/
AREAI(IWATER)
Contaminated soil area (first
2
month) in m next to lake if
IWATER-1, river if IWATER=2, and
estuary if IWATER=3.
COMMON/OUT/
AREA!
AREALK
AREAR
Surface area in m of estuary,
lake, and river, respectively.
COMMON/WPARE/
COMMON/WPARL/
COMMON/WPARR/
AREAPI,
AREAPS
Area of plume (from point source)
2
in m over lake and soil next
to water body, respectively.
SUBROUTINE AIR
AREA!
AREASE
AREASL
AREASR
Surface area of the soil in m
affected by pollutant contamination
when soil (i.e., no water body),
estuary, lake, and river option,
respectively, is considered.
COMMON/SPAR!/
COMMON/SPARE/
COMMON/SPARL/
COMMON/SPARR/
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73
ARPLS
Area in m of plume (from
point source) over the soil when
no water body is considered.
SUBROUTINE AIR
ARSPLU
Surface area of the soil in
2
cm affected by pollutant
contamination.
SUBROUTINE TRANS3
ASDEPE
ASDEPL
ASDEPR
ASDEPS
Total deposition from air to
soil in Mg/mon when estuary,
lake, river, and soil (i.e.,
no water body) option,
respectively, is considered.
COMMON/OUT/
ASMIDE
ASMIDL
ASMIDR
ASMIDS
Dry deposition in kg/m /s
from air to soil when estuary,
lake, river, and soil (i.e.,
no water body) option,
respectively, is considered.
COMMON/MEDIA/
ASMIND
ASMINW
Dry and wet deposition,
respectively, from air to
2
soil in yg/cm /mon.
SUBROUTINE TRANS3
ASMIWE
ASMIWL
ASMIWR
ASMIWS
Wet deposition in kg/m /s
from air to soil when estuary,
lake, river, and soil (i.e.,
no water body) option,
respectively, is considered.
COMMON/MEDIA/
ASMOD1
ASMODL
ASMODR
Dry deposition in kg/m IB
from air to soil that will be
used in the next time step when
COMMON/MEDIA/
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74
ASMODS
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
ASMOWE
ASMOWL
ASMOWR
ASMOWS
Wet deposition in kg/m /s
from air to soil that will be
used in the next time step when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
COMMON/MEDIA/
AVAIRE
AVAIRL
AVAIRR
AVAIRS
Average air concentration in
Ug/m when estuary, lake,
river, and soil (i.e., no water
body) option, respectively, is
considered.
COMMON/OUT/
AVCNES
AVCNRS
AVCNS
Average concentration in air in
kg/m due to point source
plume over estuary and soil,
river and soil, and soil (i.e.,
no water body considered),
respectively.
SUBROUTINE AIR
AVCONL
AVCONS
Average concentration in air in
kg/m due to point source
plume over lake, and soil next to
lake, respectively.
SUBROUTINE AIR
AVCSL
Average concentration in air in
kg/m due to point source
plume when a lake is considered.
AVCSL - (AVCONL + AVCONS)/2.0.
SUBROUTINE AIR
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75
AWDEPE
AWDEPL
AWDEPR
Total deposition from air to
water in ug/mon when estuary,
lake, and river option,
respectively, is considered.
COMMON/OUT/
AWMINE
AWMINL
AWMINR
Total deposition from air to
water (m-Q) in kg/s when
estuary, lake, and river option,
respectively, is considered.
COMMON/MEDIA/
AWMODE
AWMOUL
AWMOOR
Total deposition in kg/s from air
to water (m ..) that will be
out
used in the next time step when
estuary, lake, and river option,
respectively, is considered.
COMMON/MEDIA/
BCFAQ.
BCFPL
BCFAQ in ml/g is the ratio between
concentration in tissue (fresh
weight) and concentration in
water. BCFPL is the ratio
between concentration in tissue
(dry weight) and concentration
in soil and is unitless.
SUBROUTINE BIOCHN
BFUNC
Array used to store the cubic
coefficients b^ (Forsythe,
et al., 1977) needed in spline
calculation of Laursen's
function (Laursen, 1958).
SUBROUTINE FUNLAU
BO
Length of the line source in m
for an ocean simulation.
COMMON/WPARO/
-------
BP
76
Array used to store the cubic
coefficients b. (Forsythe,
et al., 1977) needed in spline
calculation of trapping
efficiency P for lakes (Zison
et al., 1977).
SUBROUTINE SEDCON
BTHETA
Array used to store the cubic
coefficients b. (Forsythe,
et al., 1977) needed in spline
calculation of Shields factor
(Bagnold, 1966).
SUBROUTINE FUNLAU
BVFALL
Array used to store the cubic
coefficients b. (Forsythe,
et al., 1977) needed in spline
calculation of the fall
velocity (Fields, 1976).
SUBROUTINE FUNLAU
C is a dimensionless parameter
used in the area source model
which is a function of stability
and area size (McDowell-Beyer and
Hetrick, 1982).
SUBROUTINE AIR
CFUNC
Array used to store the cubic
coefficients c. (Forsythe, et al.,
1977) needed in spline calculation
of Laursen's function (Laursen,
1958).
SUBROUTINE FUNLAU
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77
CHEMl(l)
CHEMK2)
CHEMK3)
CHEMK4)
CHEMK5)
CHEMK6)
CHEMK7)
CHEMK8)
CHEMK9)
CHEMl(l) or SL is the compound COMMON/CH/
solubility in water in yg/ml.
CHEMK2) or KOC is the adsorption COMMON/CH/
coefficient of the compound on
organic carbon in (yg/goc)/(yg/ml).
CHEMK3) or DA is the diffusion COMMON/CH/
o
coefficient in air in cm /s.
CHEMK4) or KDE is the COMMON/CH/
biodegradation rate of the
compound in day
CHEMK5) or H is Henry's law COMMON/CH/
constant in m atm/mol.
CHEMK6) or K is the averaged COMMON/CH/
adsorption coefficient for the
compound on the soil in
(ug/g)/(ug/ml).
CHEMK7) or MWT is the molecular COMMON/CH/
weight of the compound in g/mol.
CHEMK8) or VAL is the valence COMMOM/CH/
of the compound and is unit less.
CHEMK9) or KNH is the neutral COMMON/CH/
hydrolysis constant in day .
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78
CHEMl(lO)
CHEMl(lO) or KBH is the base
hydrolysis constant in
l/(mol day).
COMMON/CH/
CHEMl(ll)
CHEMl(ll) or KAH is the acid
hydrolysis constant in
l/(mol day).
COMMON/CH/
CHEMK13)
CHEMK13) or SK is the stability
constant of the compound-ligand
complex.
COMMON/CH/
CHEMK14)
CHEMK14) or B is the number of
moles of ligand per mole of
compound complexed.
COMMON/CH/
CHEM1U5)
CHEM1U5) or MWTLIG is the
molecular weight of the ligand
in g/mol.
COMMON/CH/
CHMFLG
This flag is equal to ACID if
the chemical is an acid, BASE
if the chemical is a base, and
NONE if the chemical is neither.
COMMON/FLAGS/
CLIMMUl.l.IYR) CLIMMKl.l.IYR) or L is the
latitude in °N of the area.
COMMON/HYM/
CLIMM1(2,MON,IYR) CLIMM1(2,MON,IYR) or TA is the
temperature in C of the
area for month MON and year IYR.
COMMON/HYM/
CLIMM1(3,MON,IYR) CLIMMlO .MON.IYR) or NN is the
fraction of sky covered by clouds
for month MON and year IYR.
COMMON/HYM/
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79
CLIMM1(4,MON,IYR)
CLIMM1(5,MON,IYR)
CLIMM1(4,MON,IYR) or S is the
relative humidity of the area
for month MON and year IYR.
CLIMM1(5,MON,IYR) or A is the
shortwave albedo of the surface
for month MON and year IYR.
CLIMM1(6,MON,IYR) or REP is
the evapotranspiration rate
of the area in cm/day for month
HON and year IYR.
CLIMM2(1,MON,IYR) CLIMM2(1.MON.IYR) or MPM is
the precipitation in cm for
month MON and year IYR.
COMMON/HYM/
CLIMM1(6,MON,IYR)
CLIMM2(2,MON,IYR)
CLIMM2(3,MON,IYR)
CLIMM2(4,MON,IYR)
CLIMM2(2,MON,IYR) or MTR
is the mean time of each
rain event in days for
month MON and year IYR.
CLIMM2(3,MON,IYR) or MN is
the number of storm events
during month MON of year IYR.
CLIMM2(4,MON,IYR) or MT is the
mean length of the rain season
in days for month MON of year
IYR.
COMMON/HYM/
COMMON/HYM/
COMMON/HYM/
COMMON/HYM/
COMMON/HYM/
COMMON/HYM/
CLM
Pollutant concentration in the
soil moisture of the lower
soil zone in tig/ml.
SUBROUTINE TRANS3
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80
CLMEST
CLMLKE
CLMRIV
CLMS
Pollutant concentration in the
soil moisture of the lower
soil zone in pg/ml when estuary,
lake, river, and soil (i.e., no
water body) option, respectively,
is considered.
COMMON/MEDIA/
CLSA
Pollutant concentration in the
the soil air of the lower soil
zone in ug/ml.
SUBROUTINE TRANS3
CLSAES
CLSALK
CLSARV
CLSAS
Pollutant concentration in the soil
air of the lower soil zone in pg/ml
when estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
COMMON/MEDIA/
CMM
Pollutant concentration in the soil
moisture of the middle soil zone
in yg/ml.
SUBROUTINE TRANS3
CMMEST
CMMLKE
CMMRIV
CMMS
Pollutant concentration in the
soil moisture of the middle soil
zone in ug/ml when estuary, lake,
river, and soil (i.e., no water body)
option, respectively, is considered.
COMMON/MEDIA/
CMSA
Pollutant concentration in the soil
air of the middle soil zone in
Ug/ml.
SUBROUTINE TRANS3
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81
CMSAES
CMSALK
CMSARV
CMSAS
Pollutant concentration in the soil
air of the middle soil zone in
yg/ml when estuary, lake, river,
and soil (i.e., no water body)
option, respectively, is considered,
COMMON/MEDIA/
CNCEDHIE)
CNCED2UE)
CNCED3UE)
CNCEIJI(IE)
CNCEU2UE)
CNCEU3(IE)
Neutral (1), ionic (2), and adsorbed COMMON/OUT/
(3) pollutant concentrations in
o
lig/m in the estuary at points
IE downstream and upstream,
respectively, of the source.
CONAQE
CONAQL
CONAQR
CONAQO
Concentration in aquatic organisms
in pg/g when estuary, lake, river,
and ocean, respectively, is
considered.
SUBROUTNE BIOCHN
CONU
CONL2
CONL3
Neutral, ionic, and adsorbed
pollutant concentrations,
respectively, in yg/m in
the lake.
COMMON/OUT/
CONOKI)
CONOl(I)
CON03CI)
Neutral, ionic, and adsorbed
pollutant concentrations,
3
respectively, in Ug/m at
points I from the source in
the ocean.
COMMON/OUT/
CONPLE
CONPLL
CONPLR
CONPLS
Concentration in terrestrial plants
(forage) in Wg/g when estuary, lake,
river, and soil (i.e., no water body)
option, respectively, is considered.
SUBROUTINE BIOCHN
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82
CONRl(IR)
CONR2(IR)
CONR3UR)
Neutral, ionic, and adsorbed
pollutant concentrations,
respectively, in pg/m in
reach IR of the river.
COMMON/OUT/
CONSDE
CONSDL
CONSDO
CONSDR
Average suspended sediment
2
concentration in kg/m
for estuary, lake, ocean
and river, respectively.
COMMON/SDPARE/
COMMON/SDPARL/
COMMON/SDPARO/
COMMON/SDPARR/
COVFLG
Specifies whether the compound
is (=YES) or is not (=NO) a
covalently bonding material.
SUBROUTINE BIOCHN
CP
Array used to store cubic
coefticients c. (Forsythe,
et al., 1977) in spline
calculation of trapping
efficiency P (Zison, et al. ,
1977).
SUBROUTINE SEDCON
CTHETA
Array used to store cubic
coefficients c. (Forsythe,
et al., 1977) needed in spline
calculation of Shields factor
(Bagnold, 1966).
SUBROUTINE FUNLAU
CTYLTH
Length of the city or urban
area in m when there is an
area source.
COMMON/AIRPAR/
CUM
Pollutant concentration in the
soil moisture of the upper
soil zone in ig/ml.
SUBROUTINE TRANS3
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83
CUMEST
CUMLKE
CUMRIV
GUMS
Pollutant concentration in the
soil moisture of the upper soil
zone in Mg/ml when estuary, lake
river, and soil (i.e., no water
body) option, respectively, is
considered.
COMMON/MEDIA/
CUSA
Pollutant concentration in the soil
air of the upper soil zone in ug/ml.
SUBROUTINE TRANS3
CUSAES
CUSALK
CUSARV
CUSAS
Pollutant concentration in the
soil air of the upper soil zone
in vg/ml when estuary, lake, river,
and soil (i.e., no water body)
option, respectively, is considered.
COMMON/MEDIA/
CVFALL
Array used to store the cubic
coefficients ci (Forsythe,
et al., 1977) needed in spline
calculation of the fall velocity
(Fields, 1976).
SUBROUTINE FUNLAU
DENSDR
DENSDT
Density of the sediment in the
river and tributary, respectively,
3
in g/cm .
COMMON/SDPARR/
COMMON/SDPAPW
DENWR
DENWT
Density of the water in the river
and tributary, respectively, in
g/cm .
COMMON/SDPARR/
COMMON/SDPAPL/
DEPFAC
Depletion factor or term - i.e.,
the integral used for depleting
the source term in point source
calculations.
COMMON/CAVPAR/
-------
84
DFUNC
Array used to store the cubic
coefficients d^ (Forsythe,
et al., 1977) needed in spline
calculation of Laursen's function
(Laursen, 1958).
SUBROUTINE FUNLAU
DH
AH, the plume rise in m.
SUBROUTINE AIR
DIASDR
DIASDT
Median sediment diameter in
mm for the river and tributary,
respectively.
COMMON/SDPARR/
COMMON/SDPARL/
DIASED
Median sediment diameter in mm.
SUBROUTINE FUNLAU
DIATHE
Array containing values of median
sediment diameter in mm that were
taken from the Shields factor
curve (Bagnold, 1966). See
parameter SHIELD below.
SUBROUTINE FUNLAU
DIAVFL
Array containing values of median
sediment diameter in mm that
were taken from the fall velocity
curve (Fields, 1976). See parameter
VFL below.
SUBROUTINE FUNLAU
DISFLG
DISFLG = YES if the longitudinal
dispersion coefficient for the
estuary is known, = NO if not.
COMMON/FLAGS/
-------
85
DISK
Acid or base dissociation
constant in moles/1.
COHMON/EQUIL/
DP
Array used to store the cubic
coefficients d. (Forsythe,
et al., 1977> needed in spline
calculation of trapping
efficiency P tor lakes (Zison,
et al., 1977).
SUBROUTINE SEDCON,
DT
Time step in s.
SUBROUTINES AIR,
LEVEL3, and WATER
DTHETA
Array used to store the cubic
coefficients d. (Forsythe,
et al., 1977) needed in spline
calculation of Shields factor 9
(Bagnold, 1966).
SUBROUTINE FUNLAU
DVFALL
Array used to store the cubic SUBROUTINE FUNLAU
coefficients d. (Forsythe,
et al., 1977) needed in spline
calculation of the fall velocity
(Fields, 1976).
EL
Longitudinal dispersion coefficient COMMON/WPARE/
2
in m /s for estuary.
ENTPY
Enthalpy of the stack gas in
j/kg.
COMMON/AIRFAR/
ESTU
ESTU is YES if an estuary is
considered, NO if not.
COMMON/FLAGS/
-------
86
ETA
Evapotranspiration rate in
cm/mon.
COMMON/HYR/
Array used to store values
of Laursen's function taken
from Laursen's curve (Laursen,
1958) at points SVFL (see below).
This array contains the natural
log of the actual points from the
curve in order to increase accuracy.
SUBROUTINE FUNLAU
FDEST
FDLAKE
FDRIV
FDSOIL
Dry deposition in kg/m /s when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
SUBROUTINE FUNLAU
FGAM
Gamma function at a specified
point (Bonazountas and Wagner,
1981).
COMMON/HYR/
FUNC
Function needed in Laursen's
formula (Laursen, 1958).
SUBROUTINE FUNLAU
FUNCR
FUNCT
Function needed in Laursen's
formula (Laursen, 1958) for
river and tributary, respectively.
SUBROUTINE SEDCON
FWEST
FWLAKE
FWRIV
FWSOIL
Wet deposition in kg/m /s when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
SUBROUTINE AIR
-------
87
Gravitational infiltration
parameter (Bonazountas and
Wagner, 1981).
COMMON/HYR/
GEOH(1)
GEOMU) or AR is the surface
2
area in cm of the soil
affected by direct pollutant
application.
COMMON/AP/
GEOMU)
Z = GEOM(2)*100.0 is the depth
to the groundwater table in cm.
COMMON/AP/
GEOMU)
GEOMU) or DU is the depth of
the upper unsaturated soil
zone in cm.
COMMON/AP/
GEOMU)
GEOMU) or DM is the depth of
the middle unsaturated soil
zone in cm.
COMMON/AP/
GEOMC6)
GEOMC6) or A2KDE is the ratio
of the biodegradation rate of
the compound in the middle soil
zone to the upper soil zone.
COMMON/AP/
GEOM(7)
GEOM(7) or A20C is the ratio of
the organic carbon content of
soil in the middle zone to the
upper soil zone.
COMMON/AP/
-------
88
GEOMC8)
GEOMC8) or A2CC is the ratio of
the clay content of the soil in
the middle soil zone to the
upper soil zone.
COMMON/AP/
GEOMC9)
GEOM(9) or AKDE is the ratio of
the biodegradation rate of the
compound in the lower soil zone
to the upper soil zone.
COMMON/AP/
GEOM(IO)
GEOM(IO) or AOC is the ratio of
the organic carbon content of
soil in the lower soil zone to
the upper soil zone.
COMMON/AP/
GEOM(ll)
GEOM(ll) or ACC is the ratio of the
clay content of the soil in the
lower soil zone to the upper soil
zone.
COMMON/AP/
GEOMU4)
GEOMU5)
GEOMC16)
GEOMU4) or FRN is the Freundlich COMMON/AP/
exponent.
GEOMU5) or PH is the pH of the COMMON/AP/
upper soil zone layer.
GEOMU6) or A2PH is the ratio of COMMON/AP/
pH for the middle to upper soil
layer.
GEOMU7)
GEOMU7) or APH is the ratio of pH
for the lower to upper soil
layers.
COMMON/AP/
-------
89
GEOMU8)
GEOMU9)
GRWROF
GZ
HEFFIV
HMIX(MON.IYR)
HMIXZ
HPLUSE
HPLUSL
HPLUSO
HPLUSR
GEOMU8) or A2CEC is the ratio of
the cation exchange capacity in
the middle to upper soil zone.
GEOMU9) or ACEC is the ratio of
the cation exchange capacity in
the lower to upper soil zone.
Groundwater runoff in yg/mon.
Ratio of calculated monthly
precipitation to monthly
precipitation that was input.
Effective stack height in m
for point source.
Mixing height for month MON
and year IYR in m.
Same as HMIX(MON,IYR;. This
parameter is passed via COMMON
to FUNCTION'S DEPAVG(X) and
CAVGE(X).
LH J in moles/I when
estuary, lake, ocean, and
river, respectively, is
considered.
COMMON/AP/
COMMON/AP/
SUBROUTINE TRANS3
COMMON/HYR/
COMMON/CAVPAR/
COMMON/A1RPAR/
COMMON/CAVPAR/
COMMON/EQUIL/
HS
HYDBAL(IMO.l)
Stack height in m.
Soil moisture (THA) as a
fraction for month IMO.
COMMON/AIRPAR/
COMMON/HB/
-------
90
HYDBAL(IMO,2)
HYDBAL(IMO,3)
Precipitation for month
IMO in cm (= PA/12).
Net infiltration for month
IMO in cm (= IA/12).
COMMON/HB/
COMMON/HB/
HYDBAL(IMO,4)
HYDBAL(IMO,5)
HYDBAL(IMO,6)
HYDBAL(IMO,7)
HYDBAL(IMO,8)
HYDBAL(IMO,9)
IA
IGE
IL3
Evapotranspiration for
month IMO in cm (° ETA/12).
Surface runoff for month
IMO in cm ( = RSA/12).
Groundwater runoff for month
IMO in cm (= RGA/12).
Yield for month IMO in cm.
HYDBALUM0.7) = HYDBAL(IMO,6) +
HYDBALUM0.5).
Same as GZ for month IMO.
Same as CLIMM2(1,IMO,IYR).
Annual net infiltration in cm.
Logical input device number
used to read in general
climatologic, soil, and
chemistry data (is = 1).
Logical input device number
used to read in LEVELS data
(is = 2).
COMMON/HB/
COMMON/HB/
COMMON/HB/
COMMON/HB/
COMMON/HB/
COMMON/HB/
COMMON/HYR/
COMMON/FI/
COMMON/FI/
-------
91
IMO or
IMON
Index signifying month of
the year.
Numerous
Subroutines
IOR
IOW
IFASS
Logical device number used
for reading SESOIL executive
data (IOR =5) and writing
SESOIL portion of output
(IOW = 6), respectively.
Index used to bypass calculation
of constant parameters that have
already been computed in order to
avoid repetition.
COMMON/FI/
SUBROUTINES LEVEL3
and TRANS3
IR
Reach number in the river.
SUBROUTINE OUTPUT
I STEP
Ten time steps are taken
each month and ISTEP is
the index used for these
steps.
SUBROUTINES AIR,
LEVEL3, TRANS3,
and WATER
IWATER
IWATER - 1 signifies lake,
IWATER = 2 signifies river,
and IWATER = 3 signifies
estuary. IWATER = 1 and
parameter WATBOD-NO signify
no water body is considered.
SUBROUTINE LEVEL3
and TRANS3
IYR
IYR is the index for the year.
Numerous Subroutines
IYRS
Index of how many years of data
follow.
SUBROUTINE RFILE
JAPPL
Index for application area of
interest.
COMMON/EX/
-------
92
JCH
Index of the chemical compound
of interest.
COMMON/EX/
JNUT
JRE
JRUN
Index for the nutrient cycle
participation.
Index of the region of interest.
Incremental number of the run.
COMMON/EX/
COMMON/EX/
COMMON/EX/
JSO
JYRS
Index of the soil type of interest. COMMON/EX/
Number of years to be simulated.
COMMON/EX/
KOW
n-octanol water partition
coefficient (dimensionless).
SUBROUTINE BIOCHN
LAKE
LAMBDA
LEVEL
LAKE is YES if a lake is
considered, NO if not.
Weathering constant in day
LEVEL =3, the SESOIL level of
operation.
COMMON/FLAGS/
SUBROUTINE BIOCHN
COMMON/EX/
LIGCL
LIGCLE
LIGCLL
LIGCLR
LIGCLS
Ligand concentration in the
lower soil zone in ig/ml.
Ligand concentration in the
lower soil zone in Pg/ml
when estuary, lake, river, and
soil (i.e., no water body) option,
respectively, is considered.
SUBROUTINE TRANS3
COMMON/MEDIA/
-------
93
LIGCM
Ligand concentration in the
middle soil zone in yg/ml.
SUBROUTINE IRANS3
LIGCME
LIGCML
LIGCMR
LIGCMS
Ligand concentration in the
middle soil zone in Mg/ml
when estuary, lake, river,
and soil (i.e., no water body)
option, respectively, is
considered.
COMMON/MEDIA/
LIGCU
Ligand concentration in the
upper soil zone in Mg/ml.
SUBROUTINE TRANS3
LIGCUE
LIGCUL
LIGCUjl
LIGCUS
Ligand concentration in the
upper soil zone in pg/ml
when estuary, lake, river, and
soil (i.e., no water body) option,
respectively, is considered.
COMMON/MEDIA/
LIGL.
LIGM
LIGU
Ligand mass input to the
lower, middle, and upper
soil zones, respectively,
in yg/cm .
COMMON/LEV2/
MON
Index signifying month of
the year.
Numerous Subroutines
NCH
Index of the chemical being
considered.
SUBROUTINE RFILE
NF
Found in the GE data file input
sequence, this index signifies
the type of SESOIL data that
follow. If NF=1 subsequent
data describes the region;
SUBROUTINE RFILE
-------
94
if NF=2 subsequent data
describes the soil; and if
NF=3 subsequent data
describes the chemical.
NPTSE
Number of points on either
side of the source at which
TOX-SCREEN computes and
outputs pollutant concentrations
in the estuary.
COMMON/WPARE/
NPTSO
Number of points from pollutant
source that TOX-SCREEN computes
and outputs pollutant
concentrations in the ocean.
COMMON/WPARO/
NR
Number of reaches that the river
is broken into.
COMMON/WPARR/
NRE
Index of the site or region
being considered.
SUBROUTINE RFILE
NSO
Index of the soil being considered.
SUBROUTINE RFILE
NSTEPS
Number of time steps taken each
month (currently = 10).
SUBROUTINES AIR,
LEVELS, TRANS3,
and WATER
NTY
Index of the region that the
simulation will be applied
to.
SUBROUTINE RFILE
OCEAN
OCEAN is YES if an ocean is
considered, NO if not.
COMMON/FLAGS/
-------
95
Trapping efficiency for lakes
(Zison et al., 1977).
SUBROUTINE SEDCON
PA
Computed annual rainfall in
cm.
COMMON/HYR/
PCONCUM0.15,
IWATER)
Array containing pollutant
concentrations in soil water,
soil air, and adsorbed phases,
free ligand concentration, and
maximum pollutant depth for
month IMO and water body IWATER
(see definition of IWATER above).
COMMON/LEV2/
PDAT
Array containing values of
trapping efficiency P for lakes
taken from curve in Zison et al.,
1977. See parameter VDQ below.
SUBROUTINE SEDCON
PI
3.1415927
SUBROUTINE AIR,
and
FUNCTION CAVGE
PINL
PINM
PINU
Pollutant mass going to lower,
middle, and upper soil zone,
respectively, in pg/cm .
SUBROUTINE TRANS3
PMASSE
Pollutant mass in estuary in kg.
SUBROUTINE WATER
POUTL
POUTM
POUTU
Pollutant mass output from
lower, middle, and upper soil
2
zone, respectively, in yg/cm .
SUBROUTINE TRANS3
-------
FREML
PREMM
PREMU
PTHERL
PTHERM
PTHERU
PTRANL
PTRANM
PTRANU
96
Pollutant mass remaining at
end of time step in lower,
middle, and upper soil zone,
2
respectively, in yg/cm .
Pollutant mass available at
beginning of time step in lower,
middle, and upper soil zone,
2
respectively, in pg/cm .
Pollutant mass transformed
within time step in lower,
middle, and upper soil zone,
2
respectively, in Mg/cm .
SUBROUTINE TRANS3
SUBROUTINE TRANS3
SUBROUTINE TRANS3
QH
QP
QS(MON.IYR)
Heat emission term due to gas
efflux used in plume rise
equations (j/s).
Depleted source term in kg/s.
Pollutant source rate to air
for month MON and year IYR
in kg/s.
SUBROUTINE AIR
SUBROUTINE AIR
COMMON/AIRPAR/
RATIO
Initial interception fraction.
Parameter needed in Laursen's
formula to compute sediment
concentration. RATIO is the
ratio of the sediment diameter
to water depth raised to the
7/6 power.
SUBROUTINE BIOCHN
SUBROUTINE FUNLAU
-------
97
RATIOR
RATIOT
Same as RATIO for river and
tributary, respectively.
SUBROUTINE SEDCON
RESUSE
RESUSL
RESUSR
RESUSS
Pollutant concentration in air
due to resuspension from soil
2
in ug/m when estuary, lake,
river, and soil (i.e., no water
body) option, respectively, is
considered.
COMMON/OUT/
RGA
Computed annual groundwater runoff
in cm.
COMMON/HYR/
RHO
Stack gas density in kg/m .
COMMON/AIRPAR/
RIVER
RIVER is YES if a river is
considered, NO if not.
COMMON/FLAGS/
RSA
Computed annual surface runoff
in cm.
COMMON/HYR/
RUNMIQ.MON)
RUNM1U.MON)
RUNMl(l.MON)
Also called CUM, CMM, and CLM,
respectively; these input parameters
(if nonzero) are the concentrations
of the pollutant in the soil
moisture of the upper, middle,
and lower soil zones in month
MON (yg/ml).
COMMON/AP/
RUNMK4.MON)
RUNM1(1,MON)
RUNM1(.6,MON)
Also called POLINU, POLINM, and
POLINL, respectively; these input
parameters are the monthly
2
pollution load in pg/cm
entering the upper, middle, and
COMMON/AP/
-------
98
RUNM1(7,MON)
lower soil zones (i.e. , there is
a direct application).
Also called ISRM, this is the
monthly index for pollutant
appearance in surface runoff.
ISRM is a number between 0.0
and 1.0 with 0.0 signifying no
surface runoff is allowed.
COMMON/AP/
RUNM2U.MON)
RUNM2U.MON)
RUNM2C3..MON)
RUNM2U.MON)
RUNM2(.5,MON)
RUNM2(6.,MON)
RUNM2(7.,MON)
Also called ASL, this is Che COMMON/AP/
monthly ratio of the concentration
of pollutant in rain to the maximum
solubility in water. This SESOIL
parameter is not used in TOX-SCREEN.
Also called TRANSU, TRANSM, and COMMON/AP/
TRANSL, respectively, these input
parameters represent the monthly
amount of pollutant transformed
2
(pg/cm ) in the upper, middle,
and lower soil zones, and not
accounted for by existing model
processes.
Also called SINKIJ, SINKM, and COMMON/AP/
SINKL, respectively, these input
parameters represent the monthly
2
amount of pollutant "lost" (ug/cm )
in the upper, middle, and lower soil
zone, by processes not directly
described by the model (e.g., plant
uptake).
-------
99
RUNM2(jJ,MON)
RUNM2(i,MON)
RUNM2OO.MON)
Also called LIGU, LIGM, and LIGL,
respectively, these parameters are
the monthly ligand mass input to
the upper, middle, and lower soil
2
zones in pg/cm .
COMMON/AP/
SACON
Concentration in air in kg/m
due to volatilization of pollutant
from soil.
SUBROUTING AIR
SAMIN
Volatilization rate in kg/s from
soil to air.
SUBROUTINE AIR
SAMOUJS
SAMOUL
SAMOUR
SAMOUS
Soil to air volatilization rate in COMMON/MEDIA/
kg/sec when estuary, lake, river, and
soil (i.e., no water body) option,
respectively, is considered.
SAMOUT
Soil to air volatilization rate in
ug/mon.
SUBROUTINE TRANS3
SCONLE
SCONLL
SCONLR
SCONLS
Pollutant concentration in
Mg/m in the lower soil
zone when estuary, lake, river,
and soil (i.e., no water body)
option, respectively, is considered.
COMMON/OUT/
SCONME
SCONML
SCONMR
SCONMS
SCONUE
SCONUL
Pollutant concentration in yg/m COMMON/OUT/
in the middle soil zone when estuary,
lake, river, and soil (i.e., no
water body) option, respectively,
is considered.
o
Pollutant concentration in pg/m COMMON/OUT/
in the upper soil zone when estuary,
-------
100
SCONUR
SCONUS
lake, river, and soil (i.e., no water
body) option, respectively, is
considered.
SEDCl(MON.IYR)
SEDCL(MON.IYR)
SEDCO(MQN.IYR)
SEDCR(MON.IYR)
Average suspended sediment
2
concentration in kg/m for
month MON and year IYR when
estuary, lake, ocean, and river
option, respectively, is
considered. (If flag SEDLKE is
NO and flag TRICON is YES, then
SEDCL(MON.IYR) is the sediment
concentration in the tributary
flowing into the lake.)
COMMON/ SDPAR.E/
COMMON/SDPARL/
COMMON/SDPARO/
COMMON/SDPARR/
SEDLKE
SEDRIV
SEDLKE is YES if the suspended
sediment concentration in the
lake is known, NO if not.
SEDRIV is YES if the suspended
sediment concentration in the
river is known, NO if not.
COMMON/FLAGS/
COMMON/FLAGS/
SHEAR
Used in Laursen's formula for
sediment concentration, SHEAR
is the square root of the
boundary shear.
SUBROUTINE FUNLAU
SHIELD
Array containing values of
Shields factor at different
sediment diameters (see
parameter DIATHE above) from
the curve given in Bagnold, 1966.
SUBROUTINE FUNLAU
SIGMA
Capillary infiltration parameter.
COMMON/HYR/
-------
101
SIGMAY
SIGMAZ
Horizontal dispersion coefficient
o in m.
Vertical dispersion coefficient
a in m.
z
SUBROUTINE AIR
and FUNCTION CAVGE
SUBROUTINE AIR
and FUNCTIONS
CAVGE and DEPAVG
SIGZMX
Limiting value of SIGMAZ or
maximum SIGMAZ allowed.
SUBROUTINE AIR
and FUNCTIONS CAVGE
and DEPAVG
SLAREA
Sum of lake area and soil
area next to lake affected
by pollutant contamination
(m2).
SUBROUTINE AIR
SLM
Concentration of pollutant on
soil solids in Ug/g soil for
the lower soil zone.
SUBROUTINE TRANS3
SLMEST
SLMLKE
SLMRIV
SLMS
Concentration of pollutant on
soil solids in Ug/g soil
for the lower soil zone when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
COMMON/MEDIA/
SLOPER
SLOPET
Slope of the river and
tributary to lake, respectively.
COMMON/SDPARR/
COMMON/SDPART/
-------
102
SMM
Concentration of pollutant on
soil solids in pg/g soil for the
middle soil zone.
SUBROUTINE IRANS3
SMMEST
SMMLKE
SMMRIV
SMMS
Concentration of pollutant on
soil solids in pg/g soil for
the middle soil zone when
estuary, lake, river, and soil
(i.e., no water body) option,
respectively, is considered.
COMMON/MEDIA/
SOILl(l)
SOILl(l) or RS is the soil
2
density in g/cm .
COMMON/SO/
SOILK2)
SOILK2) or Kl is the soil
intrinsic permeability in
cm .
COMMON/SO/
SOILK3)
SOILK3) or C is the soil
disconnectedness index and
is dimensionless.
COMMON/SO/
SOIL1U)
SOILK4) or N is the effective
soil porosity and is dimensionless.
COMMON/SO/
SOILK5)
SOILK5) or OC is the organic
content of the soil in % oc.
COMMON/SO/
SOILK6)
SOIL1(6) or CC is the clay
content of the soil in % cc.
COMMON/SO/
SOIL2Q)
SOIL2U) or CEC is the soil
exchange capacity in meq/100 g
soil.
COMMON/SO/
-------
103
SOIL2(.2)
SOIL2(3.)
SOIL2(4)
Also called Kill, KIM, and K1L,
respectively; these parameters are
the intrinsic permeability in
2
cm of the upper, middle, and
lower soil zones.
COMMON/SO/
SOIL2C5)
SOIL2(5) or RDUST is the dust
2
loading factor in yg soil/m .
COMMON/SO/
SRAD
The stack radius in m when there
is a point source.
COMMON/AIRPAR/
SUM
Concentration of pollutant on
soil solids in Mg/g soil for
the upper soil zone.
SUBROUTINE TRANS3
SUMEST
SUMLKE
SUMRIV
SUMS
Concentration of pollutant on
soil solids in ug/g soil for the
upper soil zone when estuary, lake,
river, and soil (i.e., no water body)
option, respectively, is considered.
COMMON/MEDIA/
SURROF
Pollutant in surface runoff in
yg/mon.
SUBROUTINE TRANS3
SVFL
Array used to store values of
SUBROUTINE FUNLAU
(Laursen, 1958). See parameter
F above. This array contains
the natural log of the actual
points from the curve in ordez
to increase accuracy.
SVOLAE
SVOLAL
Volatilization rate in yg/mon
from soil to air when estuary,
COMMON/OUT/
-------
104
SVOLAR
SVOLAS
lake, river, and soil (i.e., no
water body) option, respectively,
is considered.
SWGRWE
SWGRWL
SWGRWR
SWGRWS
Polluted groundwater runoff rate
in pg/mon when estuary, lake,
river, and soil (i.e., no water
body) option, respectively, is
considered.
COMMON/OUT/
SWKSW
Soil-water partition coefficient
in moles/kg/moles/1.
COMMON/EQUIL/
SWMINE
SWMINL
SWMINR
Soil to water pollutant rate in
kg/s at beginning of time step.
This is the sum of surface and
groundvater pollutant runoff when
estuary, lake, and river option,
respectively, is considered.
COMMON/MEDIA/
SWMOUE
SWMOUL
SWMOUR
Soil to water pollutant rate in kg/s COMMON/MEDIA/
computed at end of time step. This
is the sum of surface and groundwater
pollutant runoff when estuary, lake,
and river option, respectively, is
considered.
SWSURE
SWSUR.L
SWSURR
SWSURS
Pollutant in surface runoff from
soil to water in yg/mon when
estuary, lake, river, and soil
option, respectively, is considered.
COMMON/OUT/
TCRIT
Critical tractive force for
beginning of sediment transport
in kg/m .
SUBROUTINE FUNLAU
-------
105
TCRITR
TCRITT
TCRIT for river and tributary
(flowing into lake), respectively.
SUBROUTINE SEDCON
TE
Growth period before harvest
in days.
SUBROUTINE BIOCHN
THA
Soil moisture content (fraction).
COMMON/HYR/
THETA
Shields factor used in calculation SUBROUTINE FUNLAU
of TCRIT (Laursen, 1958 and Bagnold,
1966).
THM
Soil moisture content (fraction) at COMMON/LEV2)
beginning of time step.
TIDMAX
TITLE(12)
Maximum tidal velocity in m/s.
Array that holds headings for
various sections of the SESOIL
GE data file.
COMMON/WPARE/
SUBROUTINE RFILE
TITLES(1,12)
Heading or title of the area
or region where model will be
applied.
COMMON/TI/
TITLES(2,12)
Heading or title used to describe
the soil type.
COMMON/TI/
TITLES(3,12)
Heading or title used to describe
the chemical.
COMMON/TI/
TITLES(4,12)
Heading or title used to describe
the nutrient data (not used at
present).
COMMON/TI/
-------
106
TITLES(5,12)
Heading or title used to describe COMMON/TI/
the region/application.
TOPRIM
Boundary shear T' associated with
O
sediment particles (kg/m ).
SUBROUTINE SEDCON
TRICON
Used only when flag LAKE is YES and
flag SEDLKE is NO; TRICON is YES
if the suspended sediment
concentration of a tributary flowing
into the lake is known, NO if not.
COMMON/FLAGS/
U
Wind speed in m/s.
COMMON/CAVFAR/
TOG
UDP
Dry deposition velocity for
gases and particulates,
respectively.
COMMON/AIRPAR/
UDPW
Sum of dry and wet deposition
velocities.
COMMON/CAVPAR/
UW(MON.IYR)
Wind speed for month MON and
year IYR in m/s.
COMMON/AIRPAR/
UWET
Wet deposition velocity in m/s.
SUBROUTINE AIR
UWG
Wet deposition velocity for
gases in m/s.
SUBROUTINE AIR
VDQ
Array containing points (volume
divided by flow rate) at which
the trapping efficiency P for
lakes were taken from curve
given in Zison et al., 1977.
See parameter PDAT above.
SUBROUTINE SEDCON
-------
107
VFALL
Sediment fall velocity in m/s
used in Laursen's formula to
compute sediment concentration.
SUBROUTINE FUNLAU
VFL
Array containing sediment fall
velocity values in m/s taken
from velocity curve given in
Fields, 1976. See parameter
DIAVFL above.
SUBROUTINE FUNLAU
VG
Gravitational settling velocity
of the pollutant in m/s.
COMMON/CAVFAR/
VOLFLO
Volume of lake divided by the flow
rate out of lake in s.
SUBROUTINE SEDCON
VS
Stack gas exit velocity in m/s.
COMMON/AIRPAR/
WAMOUE
WAMOUL
WAMOUR(IR)
WASHE
WASHL
WASHR
WASHS
Volatilization rate in kg/sec
from water to air when estuary,
lake, and river (reach IR) option,
respectively, is considered.
Surface washload (erosion by
water) in ug/mon when estuary,
lake, river, and soil (i.e., no
water body) option, respectively,
is considered.
COMMON/MEDIA/
COMMON/OUT/
-------
108
WATBOD
WATBOD is YES if any water body
(i.e., estuary, lake, ocean, or
river) is considered in a
simulation, NO if not.
COMMON/FLAGS/
WCINO(MON.IYR)
0.02 times the concentration
of the effluent to the ocean for
month MON and year IYR (kg/m3).
COMMON/UPARO/
WDEPE
WDEPL
WDEFR
WDEPJ
WKB?
WKH?
WKO?
WKV?
Average water depth of estuary,
lake, river, and tributary
(flowing into lake), respectively,
in m.
Rate constants in water in s~
for biodegradation, hydrolysis,
oxidation, photolysis, and
volatilization, respectively. ? is
E for estuary, L for lake, 0 for ocean,
and R for river.
COMMON/WPARE/
COMMON/WPARL/
COMMON/WPARR/
COMMON/SDPARL/
COMMON/WRATES/
WKDL
WKDR
Rate at which water flows out of
lake and river, respectively, in
-1
SUBROUTINE WATER
WKTOT?
Sum of WKB?, WKH?, WKO?, WKP?, and
WKV? where ? is E for estuary, L
for lake, 0 for ocean, and R for
river.
SUBROUTINE WATER
WLENE
WLENR
Length of estuary and each river
reach, respectively, in m.
COMMON/WPAR.E/
COMMON/WPARR/
-------
109
WMINE(MON.IYR)
WMINL(MON,IYR)
WMINR(MON.IYR)
Pollutant source rate into estuary,
lake, and river, respectively, in
kg/s for month MON and year IYR.
COMMON/WPARE/
COMMON/WPARL/
COMMON/WPARR/
WMTLKE
WMTRIV(IR)
Mass of pollutant in lake and
river reach IR, respectively, in kg.
COMMON/WPARL/
COMMON/WPARR/
WMTOLD
Mass of pollutant in kg in a
river reach from the previous
time step.
COMMON/WPARR/
WRATG
WRATP
Washout ratio for gases and
particulates, respectively.
COMMON/AIRPAR/
WSACON
Concentration in air in kg/m
due to volatilization from both
water and soil.
SUBROUTINE AIR
WSAMIN
Volatilization rate from water
and soil to air in kg/s.
SUBROUTINE AIR
WVELE(MON.IYR)
WVELL(MON,IYR)
WVELO(MON,IYR)
WVELR(MON.IYR)
Current velocity in m/s for
month MON and year IYR when
estuary, lake, ocean, and
river option, respectively,
is considered.
COMMON/WPARE/
COMMON/WPARL/
COMMON/WPARO/
COMMON/WPARR/
WVOLAE
WVOLAL
Volatilization rate from water
in yg/mon when estuary, lake,
COMMON/OUT/
-------
110
WVOLAR
and river option, respectively,
is considered.
WVOLE
WVOLL
WVOLR
Water volume in m when
estuary, lake, and river
option, respectively, is
considered.
SUBROUTINE WATER
COMMON/WPARL/
COMMON/WPARR/
WWIDE.
WWIDR
Average width in m when
estuary and river option,
respectively, is considered.
COMMON/WPARE/
COMMON/WPARR/
XESTY(I)
Array that contains the
distances both up- and
downstream from the center
of the estuary in which
concentrations are computed
when the estuary option is
considered.
COMMON/OUT/
XI
Surface runoff function
(Bonazountas and Wagner, 1981).
COMMON/HYR/
XLENS
When no water body is considered,
and there is a point source, XLENS
is the length of the plume
considered over the soil in m.
COMMON/SPARS/
XMAX
Distance to point of maximum
centerline concentration in
m when there is a point source.
COMMON/CAVPAR/
-------
Ill
XOCEAN Distance in m between points in COMMON/WPARO/
the ocean at which TOX-SCREEN
computes and outputs pollutant
concentrat ions.
XSOIL Distance in m to the far edge of COMMON/SPARL/
the watershed from the lake when
there is a point source.
YA Computed annual surface and COMMON/HYR/
groundwater runoff in cm.
YV Terrestrial plant productivity in SUBROUTINE BIOCHN
g/m2.
-------
112
APPENDIX A
REFERENCES
1. Bagnold, R. A., An Approach to the Sediment Transport Problem from
General Physics. Geological Survey Professional Paper 422-1,
U.S. Government Printing Office (1966).
2. Bonazountas, M. and J. Wagner, SESOIL; A Seasonal Soil Compartment
Model. Draft Report, Arthur D. Little, Inc., Cambridge, Mass.,
Prepared for the U.S. Environmental Protection Agency, Office of
Toxic Substances (1981).
3. Fields, D. E. , CHNSED: Simulation of Sediment and Trace Contaminant
Transport with Sediment/Contaminant Interaction. ORNL/NSF/EATC-19,
Oak Ridge National Laboratory (1976).
4. Forsythe, G. E. , M. A. Malcolm, and C. B. Holer, Computer Methods for
Mathematical Computations. Prentice-Hall, Inc. (1977).
5. Laursen, E. M., "The Total Sediment Load of Streams," Paper #1530 in
Proceedings of ASCE 84, HY1 (1958).
6. McDowell-Boyer, L. M. and D. M. Hetrick, A Multimedia Screening-Level
Model for Assessing the Potential Fate of Chemicals Released to the
Environment. ORNL/TM-8334, Oak Ridge National Laboratory (1982).
7. Zison, S. W., K. F. Haven, and W. B. Mills, Water Quality Assessment:
A Screening Method for Nondesignated 208 Areas. EPA-600/9-77-023,
U.S. Environmental Protection Agency, Office of Research and
Development (1977).
-------
APPENDIX B
JOB CONTROL LANGUAGE TO RUN TOX-SCREEN
ON IBM 3033 COMPUTER
113
-------
//UIDSCTOX JOB (**•*«,102),'NAME AND ADDRESS',TIMB=(,40)
/*ROUTB PRINT LOCAL
/*JOBPARH LZNBS=20
// EXEC PORTHCLG,PARH.FORT=IXREP>,FARM.G0='EU=-1,DUMP=I',REGION.G0=150K
//* TOX-SCREEN FORTRAN FOLLOWS
//FORT.SYSIN DD *
=SCREEN.TOX
/*
//* NEXT OUTPUT FILE CONTAINS INPUT DATA AND ERROR MESSAGES
//GO.FT13F001 DD SYSOUT=A,DCB=(RECFH=VBA,LRECL=137,BLKSIZB=1100)
//* NEXT OUTPUT FILE CONTAINS LAKE RESULTS OR SOIL-AIR
//* INTERACTION RESULTS
//GO.FT14F001 DD SYSOUT=A,DCB=(RBCFH=VBA,LRECL=137,BLKSIZE=1100)
//* NEXT OUTPUT FILE CONTAINS RIVER RESULTS
//GO.FT15P001 DD SYSOUT=A,DCB=(RBCFH=VBA.LRECL=137,BLKSIZE=1100)
//* NEXT OUTPUT FILE CONTAINS ESTUARY RESULTS
//GO.FT16F001 DD SYSOUT=A,DCB=(RBCFH=VBA,LRECL=137,BLKSIZE=1100)
//* NEXT OUTPUT FILE CONTAINS OCEAN RESULTS
//GO.FT17F001 DD SYSOUT=A,DCB=(RECFM=VBA,LRBCL=137,BLKSIZB=1100)
//* NEXT OUTPUT FILE CONTAINS RESULTS FROM FOOD CHAIN BIOACCUMULATION
//GO.FT19F001 DD SYSOUT=A,DCB=(RECFM=VBA,LRBCL=137,BLKSIZB=1100)
//* NEXT OUTPUT FILE CONTAINS RESULTS FROM SESOIL PORTION OF TOX-SCREEN
//GO.FT06F001 DD SYSOUT=A,DCB=(RECFM=VBA,LRECL=137,BLKSIZE=1100)
/*
//* NEXT INPUT FILE CONTAINS SESOIL GB DATA
//GO.FT01F001 DD *
=FORO1.DAT
//* NEXT INPUT FILE CONTAINS SESOIL L3 DATA
//GO.FT02F001 DD *
=FOR02.DAT
//* NEXT INPUT FILE CONTAINS SESOIL EXEC DATA
//GO.FT05F001 DD *
=FOR05.DAT
//* NEXT INPUT FILE CONTAINS MODEL FLAG PARAMETERS
//GO.FT10F001 DD *
=FOR10.DAT
//* NEXT INPUT FILE CONTAINS AIR COMPARTMENT PARAMETERS
//GO.FT11F001 DD *
=FOR11.DAT
//* NEXT INPUT FILE CONTAINS WATER COMPARTMENT PARAMETERS
//GO.FT12F001 DD *
=FOR12.DAT
//* NEXT INPUT FILE CONTAINS BIOACCUMULATION PARAMETERS
//GO.FT18F001 DD *
=FOR18.DAT
/*
//
ENDINPUT
115
-------
APPENDIX C
SAMPLE INPUT DATA
117
-------
FOR05.DAT
13111011
999
119
-------
120
FOR01.DAT
RBGIOHAL DESCRIPTIONS* CLIMATIC,STORM DATA: (TBST DATA ONLY)
1 CLINTON,MASS.<40 YR AVBRA6BD DATA POR TBST ONLY) 1
L
TA
NN
S
A
RBP
MPM
MTR
MN
NT
39.00
14.3
.30
.60
0.1
0.00
10.54
.18
13.0
30.42
39.00
14.3
.30
.60
0.1
0.00
4.57
.18
6.00
30.42
39.00
14.3
.30
.60
0.1
0.00
0.13
.18
1.00
30.42
39.00
14.3
.30
.60
0.1
0.00
3.40
.18
4.00
30.42
39.00
14.3
.30
.60
0.1
0.00
2.31
.18
3.00
30.42
39.00
14.3
.30
.60
0.1
0.00
10.54
.18
13.0
30.42
39.00
14.3
.30
* .60
0.1
0.00
2.62
.18
4.00
30.42
39.00
14.3
.30
.60
0.1
0.00
12.32
.18
14.0
30.42
39.00
14.3
.30
.60
0.1
0.00
1.42
.18
2.00
30.42
39.00
14.3
.30
.60
0.1
0.00
2.21
.18
3.00
30.42
39.00
14.3
.30
.60
0.1
0.00
14.88
.18
17.0
30.42
39.00
14.3
.30
.60
0.1
0.00
3.02
.18
4.00
30.42
SOIL CLASSIFICATION DATA: (TBST DATA ONLY)
SILTY-LOAM-KANSAS
- RS.K1,C.M.OC,CC 1.32 7.B-09 6.00 0.35 15.
- CSC,X1U.X1M.X1L.ROUST 0.00
CHEMISTRY DATA! (TBST DATA ONLY)
TRICHLOROBTHYLBNB(TCB)
SL.KOC.DA.XDB.H.K 1100.00 100.00 .0830 0.009.44B-3 0.00
MHT.VAL.KNH.KBH.KAH 0.00 0.00 0.00 0.00 0.00 0.00
SK.B.MWTLIG 0.00 0.00 0.00 0.00 0.00 0.00
BND PILB
-------
121
FOR02.DAT
1 TEST RUM
-AR.e.DU.DM.FRM
-PH.A2PH.APH
-A2KOB . AKDB . A20C . AOC
.A2CC.ACC
-A2CBC.ACKC
CUM
CMM
cm
POLIHU
POLINM
POLIHL
ISRM
ASL
TRANSU
TRAMSM
TRAMSL
SXNKU
SZNXM
SZNKL
LIGCU
LIGCM
LZGCL
9
0.00
0.00
0.00
0.00
0.00
0.0
1.00
.00
0.00
0.00
0.00
0.00
0.00
0.00
00.0
0.00
00.0
HMD OF
0.00
0.00
0.00
0.00
0.00
0.00
1 .00
0.00
0.00
0.00
0.00
0.00
o.oo
0.00
0.00
0.00
0.00
FILE
0.00
0.00
0.00
0.00
0.00
0.00
1 .00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
1 .00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
1.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
8.00
1.10
1.30
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
1
50.00 15.00 10.0
1.00 .875
1.10 1.20 1.20
1 .00
1 .30
1.30
1 .30
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
-------
122
FOR10.DAT
POINT GAS AIRFLG, AZRPOL
YES NO NO LAKE, SEDLKE, TRICON
YES NO RIVER. SBDRIV
YES YES BSTU, DISPLG
YES OCEAN
ACID CHMPLG
-------
UNCHOH.XTB) ,HON=»1 ,6
HOM°7,12
UDG.WBATG.AK
QS(MON,IYR>,MON°1,6
HON=7,12
HMIX(MN,IYR>,MN=1.6
MM-7,12
HS,VG,VS,SRAD,IUIO,SM
123
FOR11.DAT
5.0
5.0
0.010
2.2B-3
2.28-3
2000.0
2000.0
100.
5.0
5.0
2.27
2.2B-3
2.2B-3
2000.0
2000.0
0.000
5.0
5.0
1 .68-5
2.28-3
2.2B-3
2000.0
2000.0
0.0
5.0
5.0
2.2B-3
2.2B-3
2000.0
2000.0
10.
5.0
5.0
2.28-3
2.2B-3
2000.0
2000.0
0.66
5.0
5.0
2.28-3
2.2B-3
2000.0
2000.0
2. SOBS
-------
124
FOR12.DAT
DISK
NMIHL(MN.XY> .MMal ,6
HH-7,12
HVBLL(MM,IT),MB=1,6
101=7,12
ARBAL.NDBPL.XSOXL,H+ 3
MKP,H.O,B.V,SHKSWL €
SBDXMBNT PARAMETERS
NMINR(MM.IT).HN°1.6
HN°7,12
NVgLR(HN,IY>.KH-1,6
MH=7,12
Hit
NLBNR. NWIDII, WDBPR. H+
WKP,H.O,B,V.SHKSWR 6
SBDZMBNT PARAMETERS
MMIMB(HH.IY>,MH=1.6
MN~7.12
WVBLBCHM.XT),HH-t,6
mr°7,12
MPTSB
ESTUARY PARAMETERS
NKP.H,0,B.V,SWSWB 6
SBDCE(MN.IY),MN°1,6
MH-7.12
NCIHO(MM,XY>,HNo1,6
HN*>7.12
HVSLO(MM.IY),HH=1,6
HK-7.12
BO,XOCBAM,R+
HKP,H,0,B,V,SWKSWO 6
MPTSO
SBDCO(KN.XY),KN=1,6
MH=7,12
0.0
0.01
0.01
0.5
0.5
. 7SOB-I-06
.2008-08
0.45
0.01
0.01
1 .5
1.5
3
500.
.200B-08
.as
0.01
0.01
0.5
0.5
2
25000.0
.2008-08
0.025
0.025
0.01
0.01
0.5
0.5
5.0
'.200B-08
3
0.025
0.025
0.01
0.01
0.5
0.5
2.0
0.0
2.65
0.01
0.01
1.5
1.5
300.
0.0
2.65
0.01
0.01
O.S
0.5
150.0
0.0
0.025
0.025
0.01
0.01
0.5
0.5
500.
0.0
0.025
0.025
0.01
0.01
0.5
0.5
500.0
0.0
1.0
0.01
0.01
1.5
1.5
10.
0.0
1.0
0.01
0.01
0.5
0.5
2.0
0.0
0.025
0.025
0.01
0.01
0.5
* 0.5
I.OB- 7
0.0
0.025
0.025
0.01
0.01
0.5
0.5
1 .OOB-7
0.0
2.00
0.01
0.01
1.5
1.5
1.0B-7
0.0
7.5B-5
0.01
0.01
0.5
0.5
75.0
0.0
0.025
0.025
0.01
0.01
0.5
0.5
0.0
0.025
0.025
0.01
0.01
0.5
0.5
5.56B-5
.0001
0.01
0.01
1.5
1.5
S.56B-5
0.01
0.01
0.5
0.5
5.56B-5
0.025
0.025
0.01
0.01
0.5
0.5
5.S6B-5
0.025
0.025
0.01
0.01
0.5
0.5
15.
0.01
0.01
1.5
1 .5
15.
0.01
0.01
0.5
0.5
1 . OB-7
15.
0.025
0.025
0.01
0.01
0.5
0.5
15.
0.025
0.025
-------
125
FOR18.DAT
NO COVFLG
ROW.R.YV.LAMBDA,TE 1.000B+02 4.000E-01 1.500B+02 2.500E-02 3.000B+01
-------
APPENDIX D
SAMPLE OUTPUT FORMAT
127
-------
To save space in this appendix, only the results for first month
(October) and last month (September) are given from files FOR14.DAT,
FOR15.DAT, FOR16.DAT, and FOR17.DAT.
129
-------
130
FOR06.DAT
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BOIt ITP« il II
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DBPSR TO OSW(B)l SO.
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HIDDU SOIL con ravTBiatit 10.
PBIOMILICB BUKMMU-ll 1.«
PB OPPBS tent-ii •.«
PB BA*10 MXODUlDPPn IOn|(.li 1.0
PB BATIO LOWBSlUPPBB lOUI-tl .11
BB6BMATXOK BAItO KIDOUlOnnt BOBBI-ll 1.1
BMPJkDA«n MTXO LOWBHOPPBE SOni-ll 1.1
osoMxc auwni COBTBBT BATIO •XOHUIVPPO sanc-ii i.a
OBOJUIXC CABBOM COVTBMT BATIO LOWniOPPIX IOKBI-M1.2
CLAT COMTBR BATJO •XODUlVPPBB B0n<-ll 1.1
CLAT cowran RATIO unnBinppn iani-)i 1.3
CATIO* nCBAMGI CAPACITY BATIO HXODUlLOWBB CORK-ll 1.J
CATIOW BICRAVei CAPACITT BATXO LOWBBllTPPBB lOBBI-ll 1.1
:CAL PABMOTBU —
-------
131
OOLmillTTim/HLII .111*0>
ADSOW COIF.IUCII . 101*0 J
OIF. COIF. I» A1»IIQ CBSIKIi .111.01
IATII/OATII .001*00
COX. «TO.•-ATK/IOUI I. MI-01
utoif. eo«r. a laiiiBii .001*00
raUCUUUI •». (8/BOtli .001*00
VALOCII-ll .001*00
namu iraoiTizi CUIIMRI/DATII .001*00
IA11 BTraOLMIl CO»(TABIO1-DATI| .001*00
ACID imoLTiK comiAnii/BOi-DATii .001*00
U6MD-fOUnUT (TA1IUTT CO«I.(.)i .001*00
ra. man Liojura/Koii MumAni-ii .001*00
LZOABI BOUCVIAI WIISnia/BOlll .001*00
— (OIL I
lima/en.CHI i 1.1
Mii .701-00
i-ii *.o
in.
oiico
POIUITTI.il »
moAMic CAUOB comniin is.
CLAT CAUOI COmartltll .001*00
CATIO* naunaiCAFY. mill tQ./iooa BIT OOIIH .001*00
imiBiie nmuiLin-tttra lonife.aiii .001*00
immic rniaAiiiiTT-«DDu lonno.aiii .001*00
im»iie nnsAiitiTT.Lon> loniig.OMi .001*00
DOIT LOABIM FACTO! IOOIOOZLI/IM1I i .001*00
-- CIUATIC FAUuimu --
LATITOOIIOIOI lt.0 10.0 10.0 10.0 If.O 11.0 11.0 10.0 11.0 1*.0 11.0 11.0
Tmr.iDiaci i«.i i*.i K.I n.j i«.i n.l i«.i it i i«.i n.j i«.j 11 i
CIOOD cninAC.i .100 .100 .100 .100 .100 .100 .100 .100 .100 .100 .100 .100
ML. nuD.irue.i -«oo .«o .«oo .too . .0001*00 .0001*00
non. crac-Lo.ioa/m .0001*00 .0001*00
pot. iHt-aira/io.aii .0001*00 .0001*00
FOI. HrF-IKOC/IQ.CHI .0001*00 .0001*00
FOI. m-Lira/ia.eM) .0001*00 .0001*00
in. RtmOFF(1»T.O-BI 1.00 1.00
.0001*00 .0001*00 .0001*00
.0001*00 .0001*00 .0001*00
.0001*00 .0001*00 .0001*00
.0001*00 .0001*00 .0001*00
.0001*00 .0001*00 .0001*00
.0001*00 .0001*00 .0001*00
1.00 1.00 1.00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
0001*00
.0001*00
.0001*00
0001*00
0001*00
.0001*00
.0001*00
— 1011 DATA-1R
cone. » umoa/BLi
TUKFOMBD- 0 1 OOJ/1Q . CO] 1
TOJIBPOllfBD.B 1 OOVOQ . CM 1
nuuroniD-Li oa/ie . ai i
(inu-aiga/(Q.cai
•imi-iiiM/(g.cBi
(ini-Liaa/(g.CB>
Lie iMFUT-ama/ia.aii
Lic.iMFOt-mnc/ig aii
Lie . IITPOT-LI oe/(a . ai i
a —
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
0001*00
.0001*00
0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
. 0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
.0001*00
. 0001*00
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
-------
132
TBAB - 1 MBRBLT UIDLTI IODTVOTI
SOIL HOXITUUI II
PP.ICIPATIOIIICHI
tin inriLn.ian
ivxponuuup. teat
tirarxci nmomoii
«« BinorriCHi
TIILD ICBI
11.0
10.1
10. i
• .if
.1(11-01
1.1*
1.17
0.7
.11
.If
.11
1711-0*
.IS
.IS
10.1
.111
.111
1.03
.1711-11
.7*0
.711
l.ll
LSI
J.JI
LSI
.7S1I-OI
.711
.711
l.ll
l.ll
l.ll
l.ll
.1171-11
.(OS
.III
10.1
10. S
10. S
S.OI
.1111-01
1.01
1.01
10.1
1.71
1.71
1.17
.11(1-01
.710
.711
11.1
11.1
11.1
l.ll
.1111-01
1.17
1.17
O.S
.«!
.11
• OS.
Sill-OS
.01
.01
10.1
1.1*
1.10
l.ll
.1111-01
.IIS
.IIS
11.1 11.0
11.0 1.10
11.1 1.10
I.IS 1.11
.*f 71-01 .1111-01
1.17 1.11
1.17 1.1*
BATXO PA/CTA(OII .111
1.01
WATBB UDT II A LAU
comuixunD IOZL AUA nit i
• I » •••! - I.C1S1*OI
•AT
JOT.
l»
.1111*07 .1111*01 .1111*01 .1711*01 .*S1I*OI .1711*07 .I1SI*OI .1011*07 •111*01 .*11I*OI .1.51*07 .7711*01
I .1*S1*11 .10*1*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1011*11 .1071*11
•I .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00
I .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00 .0001*00 .0001*00 0001*00
TOTAL mm
.1111*11 .10*1*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1071*11 .1011*11 1071*11
~ pouimuR MAII
nppn SOIL ion i
mPACl P.UMPP
TOLATXLXin
ABI. am SOIL
I1B01XLXU-CK
HTSBOLTllB-irai
Hn*OLTIia-IOI
BTDBOLTI
» IOZL BOXIT.
» IOXL A»
.7111*01
.1101*11
.0001*00
.1001*11
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1111*01
.1111*01
.1111*01
.1«SI*11
.0001*00
.1111*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.lll»01
.1011*01
.SISI-11
.1I»*11
.0001*00
.1711*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1171*01
.1111*01
.1171*01
.1071*11
.1101*00
.1711*11
.0001*00
.0001*00
.0011*00
.0001*00
.0001*00
.0001*00
.0001*00
.1111*00
.1111*01
.1001*01
.1101*11
.0001*00
.1701*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1111*01
.1111*01
.0001*00
.1111*11
.0001*00
.1001*11
.0001*00
. 0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1111*01
.1111*01
.0001*00
.1011*11
.0001*00
.1771*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
. 0001*00
.nsi*oi
.1*11*01
.0001*00
.uii»ia
.0001*00
.1101*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1111*01
.1111*01
.0001*00
.1111*11
.0001*00
.1011*11
. 0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1ISI*OI
.1SII*OI
0001*00
.11*1*11
.0001*00
.1711*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.1911*01
.1*11*01
.0001*00
.1111*11
.0001*00
.1fll*11
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001-00
.0001*00
•111*01
.1111*01
.0001*00
1011*11
0001*00
.1111*11
.0001*00
.0001*00
0001*00
.0001*00
.0001*00
0001*00
0001*00
.•111*01
1711*01
HXOBLI IOIL I0nI
VOLATILIIID .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
OTOH IXUKI .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00
ADI. O» IOIL 1111*01 .7011*01 .1111*01 .1111*10 .1111*10 .1*01*10 .1*11*10 .1*01*10 .1*01*10 .1*01*10 0011*10 .1071*11
-------
133
inioiiLiiiD-cie .0001.00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
DICUOIB .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
HnsoLYin-m .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
1TD10LTIU-IOX .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00
•maoLTiD-eie .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
comuxia .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
onn num. .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001.00
» IOIL BOUT. .11(1*09 .1711*00 .1111*01 .2111*00 .2191*00 .1121*07 .1171*07 .1111*07 .11*1*07 .1021*07 .0111*07 .0711*07
» IOXL Ml .1011*09 .1991*01 .1111*00 .1001*00 .10»*OC .1111*07 .1101*07 .10*1*07 .2011*07 .1071*07 .1001*07 .9011*07
town IOIL IOMBI
zno mum .0001*00 .0001*00 .0001*00 .0000*00 0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
TOLATXLIIBD .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00
oiBn o»u .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001.00
ADI. oa OOZL .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00 0001.00
UKOIILIID-CK .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
raouan .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
•ramiTon-BOi .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00 .0001.00
•moLTin-ioi .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
irmoLTin-cic .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00 .0001*00
CODUUO .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00 .0001.00
onn nun. .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00
H (OIL BOUT. .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
XI IOXL AIR .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
~ MLLRWT eOBCBRBATXai-IOB/MLI OL IOV/OI ~
BOIITaBB-mm .1711-01 .1111-01 .1101-01 .11*1-01 .1291-01 .1901-01 .1»1-01 .1701-01 .1001-01 .1M1-01 .1071-01 .1001-01
*oxL-arrn .011 1.20 i.ll 1.12 1.10 1.17 t.is 1.«9 i.«l 1.1? 1.90 1.10
Axi-aim .0001-02 .1191-01 .1101-01 .1101-01 .1101-01 .1101-01 .1101-01 .1121-01 .1071-01 .1*01-01 .1901-01 .1901-01
mi LiOAn-arrn .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
MOXOTni-lIULl .0001-01 .2*01-0* .2001-0* .(001-0* .1001-0* .1(01-01 .1001-01 .*90I-01 .*10I-01 . (901-0J .0101-01 .0101-01
10IL-HIDDL1 .1111-01 .0011-02 .7021-02 .1101-01 .1101-01 .1(01-01 .1001-01 .7121-01 .7121-01 .7121-01 .111 .111
AIB-BXDDU .1*01-00 .(011-09 .0011-09 .1*01-0* .1*01-0* .7*11-0* .7*11-0* .1001-01 .1001-01 .1001-01 .1101-01 .1*01-01
LIGAJD-nOOU .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
KOXOTCU-LOm .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
loxL-Lovn .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00 .0001*00
Aii-Lowa .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
mi LiOAn-Lom .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
MAX. rOL.airmail 192. 21*. 220. 271. 100. *S2. Ml. 911. 071. 707. 001. (11.
TBA1 - 1
— MTU IB*mi —
arm toil ion .2*11*11
•XDDL1 IOIL IOH .0001*00
urn IOIL ion .0001*00
A*nui IOXL Bounui n 10.1
TOTAL rUCirATXaiOM (0.9
TOTAL IHriLTUTIOH I Oil (1.9
TOTAL tvAromuur.ian 92.0
TOTAL lairACi imorricMt .1*01-02
TOTAL a** imoman tl.o
TOTAL TI1LO (Oil 11.0
— rauaTAm BAII Diinxiarxooi 1001 —
arm IOIL toni
TOTAL OOWAC1 *WKTT . JMI.09
TOTAL VOLATILIHD .2211*11
TOTAL arm izm .0001*00
rxiAL ADI. em IOIL .11*1*11
H1AL XUOIILIIIB-CK .0001*00
TOTAL DUIADIB .0001*00
TOTAL imOLTIBD-m .0001*00
TOTAL 1TDBOLTI1B-IOI .0001*00
TOTAL ITDBOLTIID-CIC .0001*00
HEAL coaruxD .0001*00
TOTAL arm TBAII. .0001*00
rilAL IB IOIL BOtlT. .(111*01
rilAL » OOIL All .1711*00
-------
134
•IDDLI IOZL lOiBl
TOTAL TOLATZLIUD .0001*00
TOTAL OTmn IUPU .0001*00
rxiAL ADI. a MIL .IOT>*II
rxiAL XBIOIZLZIBD-CIC .0001*00
TOTAL DISBAND .0001*00
TOTAL ITIttOLTIID-MO! 0001*00
TOTAL (TDULTIID-IOZ .0001*00
TOTAL ITXWOLTIID-CK .0001*00
r»AL C00UUD .0001*00
TOTAL arm TUMI. 0001*00
FMAL » SOIL HOIIT. .1711*07
rZNAL » 10X1 All .1011*07
urn IOIL ion i
TOTAL ZVTO mum .0001*00
TOTAL VOLATALZID .0001*00
TOTAL onn IIBU .0001*00
rz*AL ADI. on IOIL .0001*00
PZIAL ZBUIILIICD-CBC .0001*00
TOTAL 010BA01B .0001*00
TOTAL ITDMLTtlD-BOI .0001*00
TOTAL >TUOLTIID-IOI .0001*00
TOTAL BTDMLTI1D-C1C .0001*00
rziAL coxruzio . 0001*00
TOTAL Onn TBAM. .0001*00
PZIAL !• IOIL nilT. .0001*00
FZIAL U IOIL All .0001*00
ATzon-iua/mioa loa/ai —
mziTOU-afrn .1111-01
soii-urtn i.ii
AZI-O»»I* .1111.01
ran LZOAm-ottn .0001*00
HOZITVU-MIDBLI .1001-01
•OIL-BIDDU .tlll-01
AZ1-HZDDL1 .1101-01
ran LZOAn-UDDU .0001*00
KOKTDBl-LOwn .0001*00
lOIL-LOm .0001*00
AZB-LOWn .0001*00
ran LiaAn-LomB .0001*00
HAS. ML. DWTBIBI f.ll
-------
135
— Munur uu ram to <
P01CIIATIOB
OTHniovpni
OnnitJIllLBI
mi.o? iioi*o7
1001*11 ioai*ii
•• .••»•••• ii?i*o? 0111*00 .i*o0«,o? OTCI*OO IO?O*M 1101*07 1111*07
11 .1001*11 .1011*11 io*o*u .1010*11 .»«i.ii 1000.11 1001.11 .io«i*u
000100 0001*00 0001*00 0001*00 .0001*00 0001*00 0001*00 .0000*00 0001*00 0000*00 0001*00 0001*00
0001.00 0001.00 0001*00 0001*00 .0001.00 .0001.00 0001 ..... 00.00 0001.00 0000.00 .0001*00 .0001.00
TOTAL ICTOT
1001.11 IOII.1S 1001.11 1011.13 .3011.11 1011.11 10tl.ll 10IO>11 10«1*11 1001.11 JOOI.11 I0tl.11
01 —
VOLATILIBB8
ADI OH OOIL
IIOtOOILIBD-Cie
!• OOIL MOIOt.
IP) OOZL All
0011*00
•111*11
0001*00
IM1*11
0001*00
0001*00
0001*00
0001.00
0001.00
0001.00
0001.00
1111.00
1011.00
0101.01
1011*11
0001*00
.1111*11
0001*00
0001*00
0001.00
0001.00
.0001.00
.0001.00
.0001.00
.ltll.00
•111.00
0101-10
irvi.ii
0001*00
1111*11
0001*00
0001.00
0001*00
0001*00
1011*01
1001.11
0001*00
1001.11
1001*00
0001*00
0001*00
1001*00
.1001.11
ooot*oo
,••11*11
0001*00
1001*11
0001*00
1110*11
0001*00 .0001*00
.0011*00
0001.00
0001.00
.0011*00
,1711.01
0001*00
0001*00
,0001.00
,0001.00
,0001*00
0001*00
•101*00
•011*00
1101.11
OOOS.OO
0001*00
0001*00
0001*00
0001*00
0001*00
1101*01
.0001*01
0001*00
.0001*00
.0001*00
.0001*00
0001*00
, 0001*00
,0001*00
.1001*00
.0001*00 .0001*00
.1701*11 1001*11
1001*00 0001*00
.1111*11 1111*11
•001*00 0001*00
0001*00 .0001*00
0001*00 .0001*00
0001*00 .0001*00
0001*00 .0001*00
0001*00 .0001*00
0001*00 .0001*00
•111*00 .ina.00
1111.10 .11H.OO
0001.00
.11*0*11
.0001*00
0001*10
1001*00
1111*11
0001*00
1111*11
0001*00
0000*00
0001*00
,0001.00
0001.00
0001*00
0001.00
,1001.00
,1111.00
0001.00
1011.11
.0001.00
1101*11
0001*00
.0001*00
0001*00
.0001*00
0001*00
.0001.00
.0001.00
0111.10
•••1.00
OJID1U OOIL
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onu oino
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IN OOIL All
.0001.00
0001.00
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0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
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1000*01
0001*00
0001*00
.1171.10
.1001*00
0001*00
0001*00
0001*00
0001*00
0001*00
1X1. 00
1111*10
0001 00
0001 00
.OOM 00
0001 00
0001 0*
0001 00
0001 00
.0001*00
0001*00
1011*00
.1010*00
.0001*00
0001*00
1101*10
.0001*00
0001*00
0001*00
0001*00
0001*00
.0001*00
.10II*10
1111*00
0001*00
0001*00
.1101*10
1001*00
.0001*00
0001*00
0001*00
0001*00
0001*00
1011*00
»OI*00
0001*00
0001.00
•111.10
0001.00
0001.00
0001.00
.0001*00
0001*00
0001*00
1011*11
1111.07
.0001*00
0001*00
.•111*10
.0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
1171.07
1111.07
.0001*00
.0001.00
0001.10
.0001.00
0001*00
0001*00
0001*00
0001*00
.0001*00
1011*0?
.1111*0?
•001*00
oooo. go
0000.10
0001*00
0001.00
.0001*00
0001*00
0001*00
0001.00
1.11-07
1171.01
•001.00
0000.00
0000.10
.0001*00
0001.0*
.0001.00
0001*01
0001*00
0001*00
1IOI*0?
3*1B*07
0001*00
0001*00
1111*11
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0000*00
0000.00
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0001*00
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VOLATILISED
OTHER IIMEB
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0001*00
0001*00
0001*00
0000.00
0001.00
0001*00
0001*00
0001*00
0001*00
0000.00
0001.00
0001*00
•001*00
••••*••
.0000.00
•001*00
•001*00
.0001*00
0001*00
•••••••
0001*00
0001*00
0001*00
.0001*00
.0001*00
.0001*00
0000*00
0001*M
0001*00
0001*00
.0001*BO
••01*00
.0001.00
0001.00
.0001.00
.0001.00
.0001.00
.0001.00
.0001.00
.0001.00
.0001.00
0001*00
0001.00
0001.00
0081*00
0000*00
0000.00
0000*00
.0000.00
.0001.00
.1000.00
.0001*00
0001*00
•001*00
.0001*00
.0001*00
0001*00
0001.00
.0001*00
.OM1*00
.0001.00
0001.00
.0001.00
0001.00
0001.00
0001.00
0001.00
0001.00
0001.00
0001.00
.1001*00
0001*00
0001*00
.0001*00
.0001*00
.0001*00
.0001*00
0001*00
0001*00
.0001*00
.0001.10
0001.00
0001.00
0001*00
.0000.00
0001*00
.0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
0000.00
0000*00
0001*00
•000*00
0000*00
0001*11
0001*10
0001*10
0001*00
0000*00
0001*00
0001*0
0001*0
0001*0
0001*0
0001*0
0001*0
0001*0
0001*0
0001*0
0001*0
0000*0
0001*0
1 0101*00
0101*00
0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
0001*00
1111-01 .1700-11 .1101-01 .1001-01 .1011-01 .1111-01 .1101-01 1101-01 .1011-01 1171-11 1170-01 1110-01
•I? 1.10 I 10 1.11 1.11 1.10 1 10 I 17 1 10 I It 1 II 1 ••
••11-01 .1001-01 .1111-01 .1101-01 .1110-01 .1100-01 1101-01 .H01-I1 .1171-01 1111-01 1110-01 1111-01
0001*00 0001*00 .0001*00 .0000*00 .(000*00 .0001.00 .0100*00 .0001.10 0001*00 0001*00 0001*00 .0000.00
.1001-00 .1100-M .1001-00 .1.00-0. .1001-00 .1101-01 .1101-01 .1100-0 1100-01 1101-01 0101-01 7101-01
1011-01 .1101-01 .0011-01 .0011-01 .1011-01 .1111-01 .1011-01 1071-01 .1071-01 1071-01 0111-01 101
1110-01 .IOI1-01 0001-01 0010-01 .1010-01 1111-00 1111-00 1111-01 .1111*01 1110-01 1111-01 1101-01
1001*00 0001*00 .0001*00 0001.00 .0000*00 .0001*00 .0000.00 0(01.00 .0001*00 .0001*00 0001*00 0001*00
0001*00 .0001*00 .0000.00 .0001*00 1000*00 .0001.00 0011*00 0001*00 .0001*00 0001*00 0001*00 0001*00
.0010.00 0001*00 .0001*00 0001.00 .1000.00 .0001.00 .0001*00 .0000*10 0001.00 .0000.00 0001.00 0001*00
0001.00 0001.00 0000*00 0001.ll .0000.00 .0001.00 .0001*00 .0001*00 0000*00 .0000.00 0001.00 0001.00
0001.00 .0001*00 .0001*00 .0001.00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00 0001*00 0001*00
own OOIL loom
mnu MIL un
Lovn OOIL icon
.1111*11
.1001*00
.0001.00
-------
136
toil, mimic 11 it.s
TOTAL mciMTioiian il.l
TOTAL IIPILTBATin IOII (I.I
TOTAL ITAfOTUIlr.ICBI M.I
TOTAL impAci maprian IIII-M
TOTAL an moirian 11.1
o
-------
137
MOT XI Ml BITOABT
COHTABXBATD (OIL ABBA (1ST HOm> U •••! « (.17*8+07
— rOUBTABT HAII mm TO COLmOKOO) —
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.1*01*11
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.7191+10
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.0001+00
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.2011+01
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.OOOB+00
.101B+1*
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.0001+00
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.10IB+1*
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.101B+12
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.2901+01
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.0001+00
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.17(1+11
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.10*1+12
.0001+00
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.0001+00
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.0008+00
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.1(78+01
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— FOUOTAB* CUBCBBTBATIOBI-HIO/HLI OB (M/ai —
BOI ITW-UPPn
SOIL-OPPBB
.1101-01
.199
.1211-01
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.7*1
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.100
. 170B-01
.01?
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.101
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.002
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.910
.2128-02 .MII-01 .(1(1-02 .0718-02 .(I1B-02 .7108-01 .7108-01 .70(8-02 .7018-02 .71(8-02 .1278-02 .1X1-02
.0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .0008+00 .OOOB+00
-------
138
•OXITDBB-BXBBU .1001-0* .1001-01 .1001-09 .1001-OS .1001-01 .(001-0* .«OOI-0« .1(01-03 .1(01-0) .1101-01 .2(01-01 .2101-01
IOXL-BIBBLB .fJM-01 .tlM-01 .M2B-01 .1121-01 .t 121-01 .1101-01 .1101-01 .1101-01 .1111-01 .1111-01 .9221-01 .1221-01
AXB-HIBBLI .1001-0* .(001-00 .(OOB-0* .(001-0* .(001-0* .1101-01 .1*01-0* .1(11-01 .1(11-0* .1*11-0* .1121-01 .1111-01
LZGABD-MDDU .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 0001*00
•oxiTuu-Lora .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00
*oxL-LomB .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001.00
AXB-LOma .0001*00 .0(01*00 .0001*00 .0(01*00 .0001*00 .0001*00 .0001*00 .0001*00 .0001*00 .00(1*00 .(((1*00 .0001*00
rUI LIOAMD-LOWO .0001*00 .((01*00 .0001*00 .0001*00 .0001*00 .00(1*00 .0001*00 .0001*00 .0001*00 .0(01*00 .0001*00 .0(01*00
BAX. ML. Dim (Oil 112. 21*. 220. 271. 100. (12. «*2. (11. (72. 7(7. ((1. »11.
1
nv»n 1021 ion .1101*11
BIDDU IOXL lOIB .(((1*00
LOMBB IOXL son .0001*00
-• BT8BOLOOXC CYCLB CUMFUBBBTI
ion BOXITOUI n 10.
TOTAL rUCItATXOBICM) ((.
TOTAL XBFXLTMTXOB IOI> ((.
TOTAL ivAronuuHF.iaii 12.
TOTAL IOWACB •OBOrrfCHI .1*
TOTAL am inorrcai) 11.
TOTAL TXILO (Oil 11.
tOLLOTAn •All BXmXIOTZM
-------
139
PIMAL ADI. OB (OIL
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TOTAL BTDBOLTI09-BOX
TOTAL •nSOLYIBD-IOI
TOTAL BTBBOLYIID-OC
TOTAL oran TBABI.
rZBAL » IOXL 10X1*.
r»AL XB IOXL AX*
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
.0001*00
— ATBBAM MLLBTABT COaCnmATXOM-IM/HLlOB 109/0) ~
•OXITUU-UWU
loiL-UFtna
.1011-01
.10*
.1711-01
.0001*00
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AII-BXBOLI
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.0001*00
KOZITOU-LOim
-------
140
FOR13.DAT
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pom AXBTM
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rOSHta*l FOB TBS BXWI AU inOT (IBB lELOHl
m Bin ixanrzBi THAT A* IITOABT xi nun enitDBan
rai oune SXOIIPXBI THAT na IABOXTDDUAL DXIPBBIXOB
eoBppxeiBR IPOB I«TUABTI » itm IIBB >now>
THAT A> OCBAM XI HIM COHIXDBUO
THAT CUBICAL XI AB ACXB
DSPIHITIOH
WIBD SPIED FOB BO
-1. i ITB- 1 n
•••-1
M/i
KOH-7,12 IT»- 1
HIXXHE HBXGHT FOB KOB-1, I ITS- 1 HKXXBOB.ITBI
•OB-7,12 ITS- 1
ITAC* BBXOBT
SBATXTATXOHAX, ICTTLnO TBLOCXTT
HACK SAI BXIl THOCITT
STACK BABim
STACK BAI BHHIXTV
BHTHALPT OF STACK SAB
•I
VO
•
B/l
B/l
H
KOVBCO
J/BO
TALOBIII
9.0001+00 9.OOOB+00 9.OOOB+00 9.0001+00
9.0001+00 I.0001+00 1.OOOB+00 9.0001*00
1 .OOOB-H
1.2701+00
1.(001-09
2.200B-01 2.200B-01 3.1001-0) 2.1001-0)
1.1001-OJ 2.200B-0) 1.1POB-0) 1.100E-01
1.0001+0) 1.0001+0) l.OOOB+0) 1.0001+0)
2.000B+01 1.0001+0) 9.0008*01 l.OOOI+OJ
1.000B+01
0.0001+00
0.OOOB+00
l.OOOB+01
(.(001-01
9.9001+09
J.OOOltCO 9.000*1-00
I.OOOBfOO 5.000B1-00
1.100B-01 1.1001.0)
2.2001-0) 1.2001-01
2.0001*01 2.0001*01
1.0001+01 2.000R*02
DiriHXTiai
DIIIOCIATIW COIUTAVT
mil TALBHdl
BOLU/1 0.0001*00
bAKI •
LAJtl POLLBTABT BATB 1WH-1 . 6 ITB- 1 MBXBLIKOH.XTBI KB/I
BOB-7.12 ITB- 1
LAKE HATU VBLOCITT HOH-1, « ITB- 1 KVEUCHOH.Xn! H/B
BOB-7.12 ITB- 1
intFACB ABBA OF LAU ABBAUE H*>2
DEPTH OF LAU HDHPL B
OF •ATBBIBBD OB* FBOH LAU X1OXL B
PHOTOLTIII BATB CO>ITAR OATBBI HBPL
BTOBOLTIII BATB COBITAHT IWATEBI mm.
OXXDAIXOB HATB COMTABT IMTUII mOL
IXODBGBABATIOa BATB COaSTAKT IHATIBI WML
VOLATXLIIATXOH BATB COIITABT IHATBBI HKVL
SOXL-HATBB PUTITIOH COIPPICIBn miia
HBDXAI SlDIHEm DIAUTU » TBX1UTABT OXAIDT
IBDXKBBT DBHIXTT IB TBXIIRABT OBHIDT
WATBB DBMXTT !• TBI1DTABT BBBUT
DEPTH OF THIIOTABT WBHPT
ILOII OF TBIIOTABT IUFBT
!••-!
HOX./U/BOL/1
B
l-l
1.000B-02 1.0001-01 1.000E-02 1.000B-02 I.0001-01 1.0001-01
1.000B-02 1.0001-09 1.0001-02 1.000H-02 1.0001-01 1.0001-01
9.000B-OI 9.0001-01 9.0001-01 9.0001-01 9.000B-D1 i.0001-01
9.0001-01 S.0001-01 ».0001-01 9.0001-01 9.0001-01 9.000B-01
.790B+06
.OOOB+00
.0001+01
.1001-01
.0001+00
.0008*01
.OOOE+00
.9108-09
.9008+01
.9008-01
.(901+00
.0008*00
1.0008*00
1.0001-0*
-------
141
Bivn i
Bivn POLLOTAB* BAM B0*-1. « ITB- 1 nZHBIBai.ZTBI BO/1
BOB-i.ia zra. i
Bivn BATH vnoexn BOB-I. i ITB. i HVBUMBOB.ITBI B/I
BOB-7,12 ITB- i
•man or BBACBBI
men or Bivn BBAOI
WIDTH OP BITBB BBACB
DBPTB OP BIVIB BBACH
PBOTOLTIII BAT* COBITABT IWATBBI
HTDBOLTII* BATB COBITAB* (VATBBI
OXIDATIOB BATB COBITABT (KATBB)
IIODBOBADATIOB BATB COBITABT IHATBBI
VOIATZLIIATIOB BATB COHITABT IWATBBI
SOIL-WATn PABIIMOB COBPPICIBBT
•BBIAB imiBBBT DIAKBTBB IB Bivn
IBDIBBBT DniITT IB BIVBB
BATH DSBIXTT IB Bivn
ILOPB OP Bivn 8UPBB
1.0001-02 1.0001-02 1.0001-02 1.0001-02 1.000B-02 1.0001-02
1.0001-02 1.0001-01 1.0001-01 1.0001-02 1.000B-02 1.0001-02
1.9001*00 1.9001*00 1.9001*00 1.9001*00 1.9001*00 1.9001*00
1.5001*00 1.900B*00 1.9001*00 1.9001*00 1.5001*00 1.9001*00
>
B
B
• ••-1
•••-1
§••-1
• ••-1
• ••>1
BOL/BOVBOL/L
O/CB**1
(-1
i.oooB*oa
1.0001*01
i.aooB-oi
0.0001*00
0.0001*00
0.0001*00
9.9101-05
«. 9001-01
2. (901*00
t.OOOB*00
7.9001-09
BSTHABT I
B1TOABT PULDTABT BATB BOB'1, 6 ITB- t miBBIBOB.ITBI KO/I
BOB-7.1I ITB- 1
PBBSB KATIB VBMCITT BOB-1. 6 ITB- 1 WBIBIKOB. ITBI B/I
-J.11 ITB- 1
iPTI HP ( OOnBTBBAB OP SOOBCBIOnTPDTI
LBBOTB OP 1STOABT
WIDTH OP HTQAHY
OIPTB OP BITOABT
LOltBITOBIBAl BISPBBIIOB COBPPICIBBT
PBOTOLTIII BATB COBITAB* IKATBBI
BTDBOLTSII BATB COBITABT IKATBB)
OZIDATIOB BATB COBITABT IHATBB)
BIODBGBADATIOB BATB COBITABT IVATBBI
VOLATILIIATIOB BATB COBITABT (WATBB)
IOIL-«ATn PABTITIOB COBPPICIBBT
l-l
B
B
•••a/i
1.000B-02 1.000B-02 1.0001-02 1.0001-02 1.0001-02 1.0001-02
1.000B-02 1.OOOB-01 1.0001-02 1.0001-02 1.0001-02 1.0001-02
S.OOOB-01 S.OOOB-01 S.OOOB-01 5.0001-01 5.OOOB-01 9.0001-01
S.OOOB-01 S.OOOB-01 S.OOOB-01 9.OOOB-01 l.rfoOl-01 1.OOOB-01
2.9001*0*
1.9001*02
.0001*00
.9001*01
.2001-01
.0001*00
.0001*00
.0001*00
.9(01-09
IWKIWB BOL/BO/BOL/L 1.5001*01
iniBBBT COBC.IBITOABTI BOB-1.1 ITB- 1 IBDCKKOB.ITBI BO/B««1 2.5001-02 2.5001-02 2.5001-02 2.5001-02 a.5001-02 2.9001-02
BOB-7,12 ITB- 1 a.SOOB-Oa 2.9001-02 2.9001-02 2.9001-02 2.5001-02 2.5001-02
O.Oa*COBC. OP SPPLOBBT BOB-1. 4 ITB- 1
BOB-T.ia ITB- 1
OCBAB CUBBBBT VBMCITT BOB-t. « ITB- 1
-7.12 ITB- 1
WVBLOIBOB.ITBI B/l
ITBI BO/B»1 1.0001-02 1.0001-02 1.000B-03 1.0001-02 1.0001-02 1.0001-02
1.0001-02 1.0001-02 1.0001-02 1.0001-02 I.OOOt-02 1.0001-02
9.0001-01 S.0001-01 S.OOOB-01 5.OOOB-01 5.0001-01 9.0001-01
S.OOOB-01 9.OOOB-01 9.0001-01 5.0001-01 S.0001-01 9.0001-01
LBBOTB OP LIBI IOOBCB
DIITABCB IBTWBBB POIBTI IB OCBAB OOTPOT
PBOTOLTIII BATB COBITABT
-------
142
10
TTPB or COUBCB TBBJU
AXB - roim
HATH •ODTIIIII COHlZOIUDi
- LAKI IIA8 IOOBCBI
- Bivn (BAi lonen
- ISTBABT IBM (OnCBI
- OCBAB IBM lOOBCl)
BPVBB loit, - mm
BiooLB SOIL - BOBB
LOWH IOZL - BOMB
QBOOBArBXC BBBZOB - CLXB*OB.BAII.(*0 TB AVBBA6BP DATA fOB TUT OKITI
BMBXTOBB OF lOmCBIII
OCT mat BBC JAB FBI BAB AIB BAT JOB JOT. A08 ft*
AIB
(KO/SBC)
TBAB 1 2.201-0) 2.201-01 2.201-09 2.201-01 2.201-01 2.201-01 2.201-01 2.201-01 2.201-01 2.201-01 2.20B-01 2.20B-01
(EG/BBC)
TBAB 1 1.001-02 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.001-02 1.001-02 1.00B-02
BIVBB
IKG/IBCI
TBAB 1 1.00B-OI 1.00B-02 1.00B-02 1.001-02 1.001-01 1.00B-02 1.00B-OI 1.00B-02 1.001-02 1.001-02 (.001-02 1.00B-01
IBTDABT
IXB/1BC)
TBAB 1 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.001-02 1.00B-02 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.00B-02 1.00B-02
I(a/B**!l
TBAB 1 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.001-02 1.00B-02 1.00B-02 1.00B-02 1.00B-02 1.00B-02 1.001-02 1.00B-02
-------
143
FOR14.DAT
iBATXOM AMD XMTDACTXOB
ntm ion xi A uu
conjuuuTn um unrxci AOAI n •••» - i.7ioi«o«
COKAUBAm IOIL AUA HIT •ORI! n •••> . f.(lll*OI
TIAI i
OCT
COM HUIKUM ui anwui AXI «*i nvnuu «u tone w uioum mm MIL noau IOXL um ion
t>a/ifii i iMi-oi i.ixfoi •.»i«>oi o.oewrti l.lfii-ci I.MII*OI •.«j»i»oi o.oooi-oo
oir a* ton TOUT urn raun ion mr mmarr awn marr IUILOU
7.»i(«ii e.oi»«oo
CMCI wnmi k» AVOUOI A» u* mtui, ut IOBIC UT uiatus gFrn «oii MXDBU n» um ion ummixai
UTM Dt» a Mta M» OB I0» TOUT UTD TOUT IOH IB** MBO** «MWI» >nO*r WAMLOU
>.oog**oo
-------
144
FOR15.DAT
COBTMUWTn «*B KUIPACI AUA) II •••! . 0. 1001*01
comuiziunp ioi> AUA cm onmi 11 •••! - 1.0111*00
raAi i
OCT
COHC< HAximm AII ATUAOI AII WAT ironuu. «AT lone «A* ADOOUD mm ton. nom ten Lom ran uiairnoioi
IDG/It**!! 1.1011*01 1.0111*01 II- 1 1.1011*01 0.0001*00 1 0711-01 0.1111*01 l.(IOI.O) 0.0001*00 0.0001*00
ii- a 1.1x1.01 0.0001*00 1.0111-01
Zl- 1 1 1111*01 0 0001*00 1.7711-01
RATH an am •AH* DIP o» (OIL TOLA? •A*n TOUT lozi. ODiF morp oawn imarr *AHUAD
cuB/mHi i 0101*11 a. 1011.11 i mi.il 0.1011*10 o.0101*01 0.0001*00 I.OOOI.OT
•IP
cowl Human AII ATOJBAII AIR WAT urmuu. TOT tone HAT AOIOUIB mm 1011, unu IOIL Lawn OOIL uoDomoiai
C1IG/M**]! 1.1011*01 1.1111*01 Zl- 1 a.1011*01 0.0001*00 a.0711-01 1.0111*00 I.10«l*01 0.0001*00 0 0001*00
IR- a i.KOI.01 0.0001*00 a.0101-01
Zl- 1 1.101*01 0.0001*00 1.7011-01
RATH oir am urn u» o> IOZL TOIAT «ATD rauw IBZL mw inoopr oiwn io»or» WAIHOAP
1 1111*11 1.0001*11 1.llll.11 1.0911*11 0.0001*00 0.0001*00 «.lt«1.07
-------
145
FOR16.DAT
X II DtfTMCI mi
•••a - i.7soi*oo
I n «••! - 0.1701*07
•ATM on> am «*m
•.010*00 X- 0
x- oaio
x- -oaio
X- IIf00
DXF 0> MIL
o.»7i*ia
u une
.0001*00
.0001*00
.0001*00
.0001*00
.aui*oa 0.0001*00
«QL*> nia TCLAI OOIL su*w umorr
l.01»*11 1.0071*09
1.1JTI*0<
1.1001-01
0.1171*00
1.SOOI-01
•irau (OIL ton* OOIL
1.1111*03 0.0001*00
on
comet
i»*oi 0.0001*00
x- -oaio >.oiii*oa 0.0001*00
x> uioo uTOOKOO 0.0001*00
x—i»oo i.otn*oa 0.0001*00
DX* tm IOIL *au* nn« TOLA* MIL
i.oiion a.0011*11 t.oi7i*ii
oran MIL
i.»ai*oo
Biau OOIL
o.oi»*oi
LOVD OOIL
0.0001*00
uontnoiot
0.0001*00
-------
146
FOR17.DAT
MONTHLY POLLUTANT CONCENTRATIONS
HATER BODY IS AN OCEAN
X IS DISTANCE FROM SOURCE IN METERS
YEAR 1
CONCENTRATIONS (UG/M**3)
OCT
X=
x=
x=
0.50E+03
0.10B+04
0.15E+04
HATER (NEUTRAL)
3.816E+06
1.856E+06
1.108E+06
HATER (IONIC)
O.OOOE+00
O.OOOE+00
O.OOOE+00
HATER (ADSORBED)
1.431B+03
6.959B+02
4.156E+02
SEP
X= 0.50E+03 3.816E+06
X= 0.10E+OU 1.8S6B+06
X= 0.15E+04 1.108E+06
O.OOOE+00
O.OOOE+00
O.OOOE+00
1.Q31E+03
6.959B+02
4.156E+02
-------
147
FOR19.DAT
NOD OUUB iiMCcamunai ma
UT"-1
Ml
ton am tw
1.0001*01
•.0001-01
1 .9001*01
1.9001-01
1.0001*01
1.1001*01
I - 0. 1001*00
I - 1.0011*00
> COKBRBAIIOal !• AOOATZC OMMIOI .
fOIt-XIl OtTIGM
UT
jm
JUL
Ana
ID
xguTic
1.1191-01
l.t171-01
1.1101-01
1.1101-01
i.iaoi-oi
1.1111-01
1.1111-01
1.1171-01
1.1111-01
1.1101-01
1.1171-01
1.1101-01
1.0101*01
1.1711*01
1.1001*01
1.1111*01
1.1171*01
1.10»*01
1.1111*01
1.1001*01
1.1101*01
1.1101*01
1.1001*01
1.1101*01
.OMI-01
.0(01-01
.0111-01
-0<»-01
.0001-01
. 0101-01
.0001-01
.0001-01
.0101-01
.0001-01
.0001-01
.OOOB-01
.1001*01
.0011*01
.0001*01
.0011*01
.0001*01
. 0001*01
.0111*01
.0900*01
.0071*01
.1071*01
.0901*01
.0011*01
.1101-01
.1111-01
.1101-01
.1101-01
.1101-01
.1101-01
.1101-01
.1111-01
.1101-01
.1101-01
.1110-01
.1101-01
.0901*01
.•••0*01
.0101*01
.7101*01
7011*01
.7111*01
.7711*01
.7101*01
.7711*01
7001*01
.7111*01
.7701*01
•40ATIC
.0111*01
.0111*01
.0111*01
.0111*01
.0111*01
.0111*01
0111*01
.om>oi
0111*01
0111*01
0111*01
.0001.00
.0001*00
0001*00
.0001-00
.0001*00
.0001*00
0000*00
0001*00
.0001*00
0001*00
.0001*00
.0001*00
-------
148
• CAUTION
NO CONFIDBNCB SHOULD BB PLACBD IN THE NBTHODS USBD TO CALCULATE
CONCENTRATION IN AQUATIC ORGANISMS OR IN TERRESTRIAL PLANTS VIA ROOT
UPTAKE, OR TO EVALUATE BIOACCUMULATION POTENTIAL IN TERRESTRIAL ANIMALS, IP:
1) THB COMPOUND IS A COVALENTLY BONDING COMPOUND,
2) THB COMPOUND IS APPRBCIABLY DBGRADBD IN THB BIOTIC PHASB,
3) THB DOMINANT CONCENTRATING PHASB IN THB ORGANISM IS NOT A LIPID,
4 > THB ROW EQUALS OR BXCBBDS 1.OB+6, OR IP
5) THB CALCULATED BCP VALUE IS BBLON 10.
IT SHOULD FURTHER BB RECOGNIZED THAT THB METHOD IS NOT ABSOLUTS
BECAUSE STBRIC PROPERTIES AND SIZE OP THB CHEMICAL COMPOUND. IN ADDITION
TO LIPOPHILICITY, AFFBCT THB PRBDICTBD ACCUMULATION IM TISSUES.
ALSO, A POSSIBLY SIGNIFICANT DEGREE OF UNCERTAINTY SHOULD
BB ATTACHED TO ESTIMATED CONCENTRATIONS FOR ANY ONB ORGANISM
DUB TO DIFFERENCES IN FRACTIONAL LIPID COMPOSITION.
-------
APPENDIX E
LISTING OF TOX-SCREEN (INCLUDES SESOIL PORTION WHICH
HAS BEEN ADAPTED)
149
-------
The MAIN program is listed first followed by the TOX-SCREEN
routines in alphabetical order. These routines are then followed by
the SESOIL routines (in alphabetical order) which have been adapted
for TOX-SCREEN. Finally, a listing of the general purpose integrator
package D01AJF is included at the end of this appendix.
151
-------
152
C
C TOX-SCREEN
C MULTIMEDIA SCREENING-LEVEL MODEL
C D.M. HBTRZCK AND L.M. MCDOWELL-BOYBR
C OAK RIDGE NATIONAL LABORATORY
C JULY, 1982
C DEVELOPED TO ASSESS THE POTENTIAL FOR ENVIRONMENTAL ACCUMULATION OP
C CHEMICALS RELEASED TO AIR, SURFACE WATER, OR SOIL. SOIL MODEL SBSOIL
C (BONAZOUNTAS AND WAGNER, 1981 PROM A.D. LITTLE) WAS ADAPTED POR THIS
C MODEL. THIS PROGRAM WAS DEVELOPED AT THE REQUEST OP THE U.S.
C ENVIRONMENTAL PROTECTION AGENCY.
C
C SESOIL-82 (MAIN PROGRAM)
C
REAL NUT1.LOAD
COMMON /TI/ TITLES(5,12)
COMMON /EX/ JRUN,LEVEL,JRB,JSO,JCH,JNUT,JAPPL,JYRS
COMMON /HYM/ CLIMM1(6,12,10),CLIMM2(6,12,10),CLIMM3(12,10)
COMMON /NU/ NUTK6)
COMMON /SO/ SOIL1(6).SOIL2(6)
COMMON /CH/ CHBM1(18)
COMMON /AP/ GBOM(20).LOAD(6),RUNLO(6),RUNM1 (10,12),RUNM2MO, 12)
COMMON /HB/ HYDBAL(13,10)
COMMON /PI/ IOR.IOW,IGB,ILO,IL1,IL2,IL3
REAL LIGU,LIGM,LIGL,IA
COMMON /LBV2/PCONC(13,15,3),THM,LIGU,LIGL,LIGM
COMMON /HYR/ THA, PA, IA,BTA,RSA,RGA,YA.GZ,SIGMA,FGAM,G,XI
COMMON/CAVPAR/HBPFIV,XMAX,HMIXZ,U,VG,UDPW,DBPPAC
COMMON/MBDIA/AWMINR,AWMOUR,WAMOUR(20),AWMINL,AWMOUL,
WAMOUL,SWMINL,SWMINR,AWMINB,AWMOUB,SWMINE,WAMOUB,
SAMOUL,ASMIDL,ASMIWL,SAMOUR,ASMIDR,ASMIWR,SAMOUB,
ASMIDB,ASMIWB,ASMOWL,ASMODL,ASMODR,ASMOWR,
ASMODB,ASMOWB,SWMOUL,SWMOUR,SWMOUB,CUMLKB,
CLMLKB,CUMRIV,CLMRIV,CUMBST,CLMBST,ASMODS,ASMOWS,
ASMIDS,ASMIWS,SAMOUS,CUMS.CLMS,SUMLKB,SLMLKB,CUSALK,
CLSALK,LIGCUL,LIGCLL,SUMRIV,SLMRIV,CUSARV,CLSARV,
LIGCUR,LIGCLR,SUMBST,SLMBST,CUSABS,CLSABS,LIGCUB,
LIGCLB,SUMS,SLMS,CUSAS,CLSAS,LIGCUS,LIGCLS,CMMLKB,
CMMRIV,CMMBST,CMMS,SMMLKB.SMMRIV,SMMBST.SMMS,
CMSALK,CMSARV.CMSABS,CMSAS,LIGCML,LIGCMR,LIGCME,
LIGCMS
COMMON/WPARL/WVBLL(12,10),WMINL(12.10),WMTLKB,ARBALK,
t WDBPL.WVOLL
COMMON/WPARR/WVELR(12,10),WMINR(12,10),WMTRIV(20),
$ NR,WWIDR,WLENR,WDBPR,WVOLR.HMTOLD,ARBAR
COMMON/FLAGS/AIRPLG.AIRPOL,TRICON,LAKE,RIVER,
$ ESTU,OCEAN,SBDRIV,SBDLKB,DISPLG,CHMFLG.WATBOD
DATA YES/4H YES/
C
C FILE NUMBERS
C
IGB=1
IL3=2
IOR=5
IOW=6
-------
153
C
C RUN FOR BACH EXECUTION CARD
C
10 CONTINUE
C
C INITIALIZE ARRAYS
C
C
DO 8 1=1,6
DO 8 J=1,12
DO 8 K=1,10
CLIMM1 JRUN,LEVEL,JRB,JSO,JCH,JNUT.JAPPL,JYRS
904 FORMATC8I5)
C
C IP LAST CARD, GO TO END
C
IF(JRUN .GB. 999)GO TO 999
C
C OTHERWISE EXECUTE RUN
C
C READ DATA FOR ONB RUN AT A TIME
C
CALL RFILB
CALL RBADIN
IF(RIVBR.NE.YBS)GO TO 20
-------
154
C
C INITIALIZE VARIABLES FOR BACH WATER BODY TYPE (VOLATILIZATION TERMS,
C DEPOSITION TERMS, ETC.)
C
DO 30 1=1,NR
HAMOUR(I)=0.0
30 WMTRIVd )=0. 0
20 WMTLKE=0.0
WMTOLD=0.0
WAMOUL=0.0
ANMOUL=0.0
AWMOUR=0.0
WAMOUE=0.0
AVmOUE=0. 0
ASMOWL=0.0
ASMODL=0.0
SAMOUL=0.0
SAMOUR=0.0
ASMODR=0.0
ASMOWR=0.0
SAMOUE=0.0
ASMODB=0.0
ASMOWB=0.0
SWMOUL=0.0
SWMOUR=0.0
SWMOUB=0.0
CUMLKB=0.0
CLMLKE=0.0
CUMRIV=0.0
CLMRIV=0.0
CUMBST=0.0
CLMEST=0.0
CUMS=0.0
CLMS=0.0
ASMODS=0.0
ASMOWS=0.0
SAMOUS=0.0
SUMLKB=0.0
SLMLKB=0.0
CUSALK=0.0
CLSALK=0.0
LIGCUL=0.0
LIGCLL=0.0
SUMRIV=0.0
SLMRIV=0.0
CUSARV=0.0
CLSARV=0.0
LIGCUR=0.0
LIGCLR=0.0
SUMBST=0.0
SLMBST=0.0
CUSAES=0.0
CLSABS=0.0
-------
155
LZ6CUB=0.0
LIGCLB=0.0
SUMS=0.0
SLMS=0.0
CUSAS=0.0
CLSAS=0.0
LIGCUS=0.0
LZGCLS=0.0
CMMLKB=0.0
CKMRZV=0.0
CMMBST=0.0
CMMS=0.0
SMMLKB=0.0
SMMRZV=0.0
SMMBST=0.0
SMHS=0.0
CMSALK=0.0
CMSARV=0.0
CMSABS=0.0
CMSAS=0.0
LZGCML=0.0
LIGCMR=0.0
LIGCME=0.0
LZGCMS=0.0
C
C CALL ROUTINES FOR BXBCUTZON LBVBL
C
IP(LBVBL .BQ.3)CALL LBVBL3
C
C END OP EXECUTION -STOP
C
999 STOP
END
-------
156
SUBROUTINE AIR(IHON,IYR,ZSTBP,NSTBPS,DT)
COMMON/MEDIA/AWMINR,AHMOUR,WAMOUR(20),AHMZNL,AWMOUL,
$ WAMOUL,SWMZNL,SWHIMR,AHHZNE,AWMOUB,SHMZNB,WAHOUB,
I SAMOUL,ASMZDL,ASMZHL,SAMOUR,ASMZDR,ASMIWR,SAMOUE,
$ ASMIDE,ASMZWB,ASMOWL,ASMODL,ASMODR,ASMOHR,
$ ASMODE,ASMOWE,SWMOUL,SWMOUR,SHMOUB,CUMLKB.
$ CLMLKE,CUMRZV,CLMRZV,CUMEST,CLHBST,ASMODS,ASMOWS,
t ASMZDS,ASMZWS,SAMOUS,CUMS,CLMS,SUMLKB,SLMLKB,CUSALK,
$ CLSALK,LZGCUL,LZ6CLL,SUMRZV,SLMRZV,CUSARV,CLSARV,
t LZGCUR,LZGCLR,SUMBST.SLMEST,CUSABS,CLSABS,LZGCUB,
$ LZGCLE.SUMS,SLMS,CUSAS,CLSAS,LZGCUS,LZGCLS,CMMLKB,
$ CMMRZV,CMMBST,CMMS,SMHLKB.SMMRZV,SMMBST,SMMS.
$ CMSALK,CMSARV,CMSABS,CMSAS,LZGCML,LIGCMR,LZGCMB,
$ LZGCMS
COMMON/FLAGS/AZRFLG, AZRPOL,TRZCON,LAKE.RZVBR,
$ BSTU,OCEAN,SBDRZV,SBDLKB,OZSFLG,CHMFLG,WATBOD
COMMON/ALPHAS/AIL.A2L,A3L,A1R,A2R,A3R,A1B,A2B,A3B,
$ A10.A2O.A3O
COMMON/AZRPAR/QS(12,10),UW(12,10),HMZX(12,10),CTYLTH,
$ UDG,UDP,HRATG.HRATP,AK,HS,VS,SRAD,RHO,ENTPY
COMMON/WPARL/WVELL(12,10),HMZNL(12,10),WMTLKE,ARBALK,
$ WDEPL.HVOLL
COMMON/WPARR/WVELR(12,10),WMINR(12,10),HMTRZV(20 >,
$ NR,WWZDR,WLENR-,WDBPR,WVOLR,WMTOLD,ARBAR
COMMON/WPARB/WVELE(12,10),WMZNE(12,10),TZDMAX,EL,HWZDB,
$ NLENB,WDBPE,NPTSE,ARBAB
COMMON/CAVPAR/HBFPZV,XMAX.HMIXZ,U,VG,UDPW,DBPFAC
COMMON/SPARS/ARS.AREAS,XLBNS
COMMON/SPARL/ARL,ARBASL,XSOZL
COMMON/SPARR/ARR,AREASR
COMMON/SPARE/ARE.AREASB
COMMON /AP/ GEOM(20),LOAD(6),RUNLO(6),RUNM1(10,12).RUNM2(10,12)
COMMON /HB/ HYDBAL(13,10)
COMMON/OUT/ACMAXL,AVAIRL,AVAZRR,AVAZRB.AWDEPL,AWDBPR.AHDBPB,
$ ASDEPL,ASDBPR,ASDBPE,WVOLAL.HVOLAR,HVOLAB,SVOLAL.
$ SVOLAR,SVOLAE,SWSURL,SWSURR,SWSURB,SWGRWL,SWGRHR,
$ SHGRWB,SCONUL,SCONUR,SCONUB,SCONLL,SCONLR.SCONLB,
$ CONL1,CONL2,CONL3,CONR1(20),CONR2(20),CONR3(20),
$ CNCBD1(11),CNCBD2(11),CNCBO3(11),CNCBU1(11),CNCBU2(11),
$ CNCEU3(11),XESTY(11).CON01(10),CON02(10),CON03(10),
$ RESUSB,WASHL,HASHR,WASHB,ACMAXR,ACMAXB,ACMAXS,
$ AVAZRS,ASOBPS,SVOLAS.SWGRWS,SCONUS,SCONLS.RBSUSS,
$ RBSUSL,RESUSR,SCONML,SCONMR,SCONME,SCONMS,SWSURS,
$ WASHS.ARBAK3)
REAL NONE.LAKE,NO
DZMBNSZON HBFFC18),XMXBFF(18),HORK(800),ZWORK(102)
EXTERNAL CAVGB
EXTERNAL DBPAVG
DATA HEFF/7.,8.,10.,15.,20.,30.,40.,50.,60.,70 . ,
$ 100., 150. ,200. ,250. ,300. ,350. ,400. .450./
C
C DATA ZN XMXBFP ARB LN (f'S) ZN GRAPH ZN DOCUMENT (HBFF AND XMXEFF
C ARB USED ZN COMPUTZNG XMAX AND HEFFZV BELOW)
C
DATA XMXBFF/-2.254,-2.096,-1.833.-1.374.-1.050.-.58.
$ -.248,.02,.30,.604,1.065,1.723,2.197,2.565,2.862,
-------
157
S 3.157,3.434.3.75/
DATA EPS/1.O/
DATA AREA/4HAREA/,GAS/4H GAS/.YBS/4H YES/.POINT/4HPOZN/
DATA NONB/4HNONE/,PI/3.1 415927/.NO/4H NO/
C
IWP=13
MOH=ZMON
IPdSTEP.GT.1 )GO TO 225
IP(AIRFLG.EQ.NONE)GO TO 140
ZF(AZRFLG.BQ.AREA)GO TO 5
ZP(AZRPLG.BQ.POZMT)GO TO 10
C
C AREA SOURCE
C QS ZS MONTHLY SOURCE STRENGTH (KG/S), CTYLTH ZS LENGTH OF
C URBAN AREA (M), UW ZS HZND SPEED (M/S), AK ZS AZR CHBHZCAL
C RATE CONSTANT (S**-1)
C
5 DBDGE=0.5*CTYLTH
C=SQRT(2.0/PZ)*DBDGB**.25/0.0375
ACMAX=C*QS(MON,ZYR)/(CTYLTH*CTYLTH*UW(HON,ZYR))
ZP(AK.EQ.O.O)GO TO 150
ACMAX=ACMAX*EXP(-DBDGB*AK/UW(HON,ZYR))
GO TO 150
C
C POZNT SOURCE
C F ZS HEAT FLUX (M**4/S**3), UW WZND SPEED (M/S), HS STACK HBZGHT (M)
C QS ZS MONTHLY SOURCE STRENGTH (KG/S)
C
10 CONTZNUE
C
C QH ZS ZN WATTS (JOULES/SBC), 4.184 CONVERTS TO CAL/SEC NEEDED ZN
C F BELOW. THE FOLLOWZNG ZS USED TO COMPUTE XMAX AND HBFFZV (DBFZNBD BBLOW)
C
ZP(RHO.EQ.O.O.OR.ENTPY.EQ.O.O)GO TO 20
QH=VS*PZ*SRAD*SRAD*RHO*ENTPY/4.184
P=3.7B-5*QH
GO TO 23
20 F=G*VS*SRAD*SRAD
23 CONTZNUE
PP=F»*0.4
ZP(HS.GT.300.0)XSTAR=67.31*FP
ZP(HS.LB.300.0)XSTAR=2.164*FP*(HS**0.6)
FDUW=1.60*(F**0.3333333)/UW(MON,ZYR)
XMAX=5.6
HOLD=150.0
25 XMAX=XMAX*1000.0
DH=FDUW*XMAX**0.6666667
ZP(XSTAR.EQ.O.O)GO TO 30
XMXDXS=XMAX/XSTAR
ZP(XMXDXS.GT.1.0)DH=PDUW»(XSTAR**0.6666667)*(0.4+0.64*XMXDXS+
$ 2.2*XMXDXS*XMXDXS)/(1.0+0.8*XMXDXS)**2
C
C HSPDH ZS BFPBCTZVB STACK HBZGHT; ASSUME 7.LB.HSPDH.LB.450 METERS
C
30 HSPDH=HS+DH
ZP(ABS(HSPDH-HOLD).LT.BPS)GO TO 100
-------
158
HOLD=HSPDH
IP(HOLD.LT.HBFP<1 »GO TO 60
DO 50 1=1,17
50 IF(HOLD.GB.HBPP(Z).AND.HOLD.LT.HBPF(X+1))GO TO 75
XMAX=BXP(XHXBFF(18))
J=18
GO TO 25
60 J=1
XMAX=BXP(XMXBFF(1))
GO TO 25
7 5 DBLTA=(HOLD-HBFF(!))/(HBFF(1+1)-HBFF(I))
XMAX=BXP(XMXBFF(I)+(XMXBFF(I+1)-XMXBFF(Z))*DELTA)
J=I
GO TO 25
100 IF((J.BQ.18).OR.(J.BQ.1.AND.HOLD.LT.HBPF(1)))GO TO 110
GO TO 130
110 CONTINUE
WRITE(IHP,125)
125 FORMAT(1X,'WARNING IN AIR : HBFF OUTSIDE THB BOUNDS OF AVAILABLE D
SATA; CODE USED DATA AT BNDPOINT FOR XMAX ')
130 HBFFIV=HOLD
C
C XMAX IS X MAXIMUM (M) - DISTANCE TO POINT OF MAXIMUM CONCENTRATION. HBFFIV
C IS EFFECTIVE STACK HEIGHT (M).
C
140 ACMAX=0.0
C
C PM IS MONTHLY PRECIPITATION IN CM/MON; CONVERT TO M/SBC.
C
150 PM=HYDBAL(MON,2)*3.8580247B-9
C
C UWG IS WET DEPOSITION VELOCITY FOR GASES, ALWAYS NEEDED FOR
C VOLATILIZATION CALCULATIONS BELOW.
C
UWG=WRATG*PM
IF(AIRFLG.EQ.NONB)GO TO 225
UD=UDG
UWBT=UHG
IF(AIRPOL.BQ.GAS)GO TO 160
UD=UDP
UWBT=WRATP*PM
160 IF(AIRFLG.BQ.AREA)GO TO 225
C
C UD I UWET ARB DRY i WET DEPOSITION VELOCITIES FOR POLLUTANT FROM STACK
C
UDPW=UD+UWET
C
C SET PARAMETERS FOR QUADRATURE ROUTINE D01AJF
C
BPSRBL=1.OB-4
BPSABS=0.0
ABSBRR=0.0
IFAIL=0
HMIXZ=HMIX(MON,IYR)
U=UW(MON,IYR)
CALL DO1AJP(DEPAVG.100.0,XMAX,BPSABS,BPSRBL,DBPFAC,ABSERR,WORK,
-------
159
$ 800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF ZFAZL .NB. 0.
C
IF(ZFAIL.EQ.O)GO TO 170
WRZTE(ZWP,165)IFAZL
165 FORMAT(1X,'PROBLEM WITH D01AJF CALL ZN AZR, QP CALCULATZON, ZFAZL
$= ,'Z3)
170 CONTINUE
VBLFAC=-SQRT(2.0/PZ)*UOPH/U
C
C QP IS DEPLETED SOURCE TERM AMD ZS USED BELOW.
C
QP=QS(MON,ZYR)*BXP(VBLFAC*DBPFAC-AK*XMAX/U)
SZGHAY=0.08*XMAX/SQRT(1.0+0.0001*XMAX>
SZGHAZ=0.06*XMAX/SQRT(1.0+0.0015*XMAX)
SIGZMX=2.0*(HMIXZ-HBFPIV)/2. 1 5
C
C CHECK IF SZGZMX < 0.0 AND WRZTB ERROR MESSAGE ZF ZT ZS.
C
IF(SZGZMX.GT.O.O)GO TO 190
WRITE(IWP,175)MON.ZYR
175 FORMAT(1X,'ERROR ZN AZR: MZXZNG HBZGHT .LT. BFFBCTZVE STACK HBZGHT
$ - SZGMA SUB Z .LT. 0.0 - ZNCREASE MZXYNG HBZGHT FOR MONTH',13,
$' YEAR1,13)
STOP
190 CONTZNUB
ZF(SZGMAZ.GT.SZGZMX)SZGMAZ=SZGZMX
C
C COMPUTE MAXIMUM CONCENTRATION FOR POZNT SOURCE
C
ACMAX=QP*BXP(-0.5*((HBFFZV-VG*XMAX/U)/SZGMAZ)**2)/
$ (PZ*SZGMAY*SZGMAZ*U)
225 IF(WATBOD.BQ.NO)GO TO 700
C
C
IF(LAKE.NE.YES)GO TO 250
C
C CALCULATE CONCENTRATION IN AIR FROM LAKE AND SOIL VOLATILIZATION
C
IF(AZ RFLG.BQ.AREA)ARL=(CTYLTH«CTYLTH-ARBALK)*10 0 0 0.0
C
C WAMOUL = WATER TO AZR VOLATZLZZATZON, SAMOUL = SOZL TO AIR VOLATILZZATZON
C FOR LAKE.
C
WSAMIN=WAMOUL+SAMOUL
ARBAT=ARBALK+ARL*.0001
DBDGB=0.5 * SQRT(ARBAT)
C=SQRT(2.0/PI)*DBDGB**0.25/0.0375
WSACON=C*WSAMIN/(ARBAT*UW(MON,IYR))
IF(AK.BQ.O.O)GO TO 230
WSACON=WSACON*BXP(-DBDGB*AK/UW(MON,IYR))
230 CONTINUE
C
C CALCULATE WET (FWLAKB) « DRY (FDLAKB) DEPOSITION
C
-------
160
ASMIDL=ASMODL
ASMIWL=ASMOWL
AWMINL=AWMOUL
FDLAKB=WSACON*UDG
FHLAKB=WSACON*UWG
AWMOUL=FDLAKB+FWLAKB
C
C DEPOSITION RATE INTO LAKE AND ONTO SOIL ARE THE SAME; HOWEVER
C THE AREAS THIS RATE GOES INTO ARE DIFFERENT
C
ASHODL=FDLAKE
ASMOWL=FWLAKE
IF(ARL.NE.O.O)GO TO 231
ASHODL=0.
ASMOWL=0.
231 CONTINUE
C
AWMOUL=AWMOUL*AREALK
IF(AIRFLG.BQ.NONB)GO TO 243
IF(AIRFLG.EQ.AREA>GO TO 240
AROLD=ARL*0.0001
ARL=ARBASL*10000.0
C
C ARL IS PLUME SURFACE AREA OVER SOIL NEXT TO LAKE (IN CM**2) TO BE
C TRANSFERRED TO SBSOIL.
C
IF(ACMAX.EQ.O.O) GO TO 245
IFdSTBP.GT.1 ) GO TO 236
C
C CONST = 2.0*0.08 ; CALCULATION OF AREAS BELOW INCLUDES 2 SIGMAY'S
C ON EITHER SIDE OF PLUME CENTERLINB.
C
CONST=0.16
C
C CALCULATE SIGMA SUB Y'S
C
SIGY1=CONST*XMAX/SQRT(1.0 + 0.0001 *XMAX)
WLBNL=SQRT(ARBALK)
XMXPLK=XMAX+WLBNL
SIGY2=CONST*XMXPLK/SQRT(1.0+0.0001*XMXPLK>
XMXPLS=XMXPLK+XSOIL
SIGY3=CONST*XMXPLS/SQRT(1.0+0.0001*XMXPLS >
C
C FIND AREA OF PLUMB OVER LAKE ARBAPL AND SOIL ARBAPS USING
C TWO TRAPBZOIDS FOR EACH.
C
ARBAPL=(SIGY1+SIGY2)*WLBNL
AREAPS=(SIGY2+SIGY3)*XSOIL
ARPLLK=AREALK
IF(ARBAPL.LB.ARBALK) ARPLLK=ARBAPL
IF(ARBAPL.GT.ARBALK) AREAPS=ARBAPS+(ARBAPL-ARBALK)
ARBASL=ARBAPS
C
C CALCULATE CONCENTRATIONS AND DEPOSITIONS DUB TO AIR POINT SOURCE
C
IFAIL=0
-------
161
C
C CALCULATE AVERAGE CONCENTRATION OVER LAKE AVCONL FROM POINT SOURCE
C 1ST FIND DEPLETION FACTOR (DEPFAC) FROM XMAX TO XMXPLK
C
CALL D01AJF(DEPAVG,XMAX,XMXPLK,BPSABS,BPSRBL,DEPPAC,ABSBRR,WORK.
$ 800,IWORK,102,IFAIL>
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.EQ.O)GO TO 265
WRITE(IWP,260)IFAIL
260 FORMATMX.'PROBLEM WITH D01AJF CALL IN AIR, LAKE SECTION, IFAIL =
$',13)
STOP
265 CONTINUE
IFAIL=0
CALL DO1AJF(CAVGE,XMAX,XMXPLK.EPSABS,BPSRBL.RESULT,ABSBRR,WORK,
$ 800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O)GO TO 275
WRITE(IWP,260)IFAIL
STOP
275 CONTINUE
C
AVCONL=QP*RBSULT/WLBNL
C
C CALCULATE AVERAGE CONCENTRATION OVER SOIL AVCONS
C 1ST, DEPLETE SOURCE QS FROM 0 TO XMXPLK
C
IFAIL=0
CALL DO1AJF(DBPAVG,100.,XMXPLK,BPSABS,BPSRBL,DBPFAC,ABSERR,WORK,
$ 800,IWORK.102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O)GO TO 280
WRITE(IWP,260)IFAIL
STOP
280 CONTINUE
QPS=QS(MON,IYR)*BXP(VBLFAC*DEPFAC-AK*XMAX/U)
C
C CALCULATE DEPLETION FACTOR FROM XMXPLK TO XMXPLS
C
IFAIL=0
CALL DO1AJF(DEPAVG,XMXPLK,XMXPLS.BPSABS,BPSRBL.DBPFAC,ABSBRR,
t WORK.800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O)GO TO 290
WRITE(IWP,260)IFAIL
STOP
290 CONTINUE
IFAIL=0
-------
162
CALL D01AJP(CAVGB.XMXPLK,XMXPLS,BPSABS,BPSRBL,RESULT,ABSBRR.
$ WORK,800,IWORK.102.IFAZL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O>GO TO 295
WRITE(IWP,260 >IFAIL
STOP
295 CONTINUE
AVCONS=QPS*RBSULT/XSOIL
AVCSL=(AVCONS+AVCONL)/2.0
S LAREA=AREAPS +ARPLLK
C
236 CONTINUE
C
C CALCULATE DRY t WET DEPOSITION INTO LAKE DUE TO AIR POINT SOURCE
C IN (KG/H**2/SEC)
C
FDLAKB=AVCONL *UD
FWLAKB=AVCONL *UWET
C
C CALCULATE TOTAL DEPOSITION IN LAKE IN (KG/SBC)
C
AHMOUL=AWMOUL+(FDLAKB+FHLAKB)*ARPLLK
C
C CALCULATE DEPOSITION ONTO SOIL DUE TO AIR POINT SOURCE
C
FDSOIL=AVCONS*UD
FWSOIL=AVCONS*UWET
C
C DEPOSITION DUB TO VOLATILIZATION CONCENTRATION ABOVE MUST GO INTO
C SOIL AREA (ARBASL). VALUES IN KG/M**2/SBC
C
ASMODL=ASMODL*AROLD/ARBASL+PDSOIL
ASHOHL=ASHOHL*AROLD/ARBASL+FWSOIL
GO TO 245
C
C CALCULATE DEPOSITION DUB TO AREA SOURCE
C
240 FDLAKB=ACMAX*UD
FWLAKB=ACMAX*UWBT
AWMOUL=AWMOUL+AREALK*(FDLAKB+FHLAKB)
C
C DEPOSITION FOR SOIL SAME AS FOR LAKE(AREA DIFFERENT HOWEVER)
C
ASHODL=ASMODL+FDLAKB
ASHOWL=ASHOWL+FWLAKB
ARBASL=ARL*.0001
AVCSL=ACMAX
SLARBA=CTYLTH*CTYLTH
GO TO 245
243 AVCSL=0.0
SLAREA=0.0
245 IPdSTBP.GT. 1 )GO TO 247
ASDBPL=0.0
AWDBPL=0.0
-------
163
c
C ASDBPL ( AWDBPL (TOTAL DEPOSITION TO SOIL AND HATER - LAKE) CONVERTED
C TO UG PROM KG
C
247 ASDBPL=ASDBPL+(ASMODL+ASMOWL)*ARBASL*DT*1.OE+9
AHDBPL=AWDEPL+AHMOUL*DT*1.OE+9
IP(ISTBP.LT.NSTBPS)GO TO 250
C
C CALCULATE AVERAGE AIR CONCENTRATION AVAIRL POR LAKE
C
AVAIRL=(AVCSL*SLAREA+WSACON*ARBAT)/AMAX1(ARBAT,SLARBA)
C
C CONVERT PROM KG/M**3 TO UG/H**3
C
AVAIRL=AVAIRL*1.OE+9
IP(AIRPLG.NE.AREA)ACMAXL=(WSACON+ACMAX)*1.OE+9
C
C
250 IP(RIVBR.NB.YBS)GO TO 400
C
C CALCULATE CONCENTRATION IN AIR PROM RIVER VOLATILIZATION
C
WAHINR=0
DO 325 1=1,NR
325 WAMINR=WAHINR+WAMOUR(I)
C
C HAHINR IS TOTAL KG/SBC COMING PROM RIVER DUE TO VOLATILIZATION
C
ARBARB=HWIDR*WLENR
C
C ARBAR IS TOTAL SURFACE AREA OP RIVER
C
AREAR=ARBARB*PLOAT(NR)
IP(AIRPLG.EQ.AREA)ARR=(CTYLTH*CTYLTH-AREAR)*10000.
AREAT=ARBAR+ARR*.0001
C
C WSAMIN IS TOTAL KG/SBC COMING PROM RIVER AND SOIL DUB
C TO VOLATILIZATION (ARR INITIALIZED AS GEOM(1))
C
HSAMIN=HAMINR+SAMOUR
DBDGB=0.5*SQRT(ARBAT)
C=SQRT(2.0/PI)*DBDGB**0.25/0.0375
HSACON=C*WSAMIN/(AREAT*UH(MON,IYR))
IP(AK.BQ.O.O) GO TO 350
WSACON=WSACON*BXP(-DBDGB*AK/UW(MON,IYR))
350 CONTINUE
C
C CALCULATE WET (PHRIV) C DRY (PDRIV) DEPOSITION DUB
C TO CONCENTRATION CALCULATED PROM VOLATILIZATION.
C
AHMINR=AWMOUR
ASMIDR=ASMODR
ASMIWR=ASMOWR
PDRIV=WSACON*UDG
PHRIV=WSACON*UWG
AHMOUR=PDRIV+FWRIV
-------
164
C
C DEPOSITION RATE INTO RIVER AND ONTO SOIL ARE SAME; HOWEVER,
C THE AREAS THIS RATE GOES INTO ARE DIFFERENT.
C
ASMODR=FDRIV
ASMOWR=FWRIV
IP(ARR.NB.O.O)GO TO 360
ASMODR=0.
ASHOWR=0.
360 CONTINUE
AWMOUR=AWMOUR*ARBARE
IF(AIRPLG.EQ.NONE) GO TO 397
IF(AIRFLG.BQ.AREA) GO TO 396
AROLD=ARR*.0001
ARR=AREASR*10000.
C
C ARR IS PLUME SURFACE AREA OVER SOIL NEXT TO RIVER (IN CM**2) TO BE
C TRANSFERRED TO SBSOIL.
C
IF(ACMAX.BQ.O.O) GO TO 398
IF(ISTEP.GT.1) GO TO 395
ARRTPS=1.0
C
C CONST = 2.0*0.08 ; CALCULATION OF AREAS BELOW INCLUDES 2 SIGMAY'S ON
C EITHER SIDE OF PLUME CBNTERLINE
C
CONST=0.16
C
C CALCULATE SIGMA SUB Y'S
C
SIGY1=CONST*XMAX/SQRT(1.0+0.0001 *XMAX)
TWLBNR=FLOAT(NR)*WLENR
XMAXPR=XMAX+TWLENR
SIGY2=CONST*XMAXPR/SQRT(1.0+0.0001*XMAXPR)
C
C FIND AREA OF PLUMB OVER RIVER AND SOIL USING TRAPBZOID
C
ARPLSR=(SIGY1+SIGY2)«TWLBNR
ARPLR=AREAR
IP(ARPLSR.LB.ARBAR) GO TO 385
C
C CALCULATE AREA OF PLUME OVER SOIL (ARBAPS)
C
ARBAPS=ARPLSR-ARBAR
ARBASR=ARBAPS
GO TO 390
385 ARRTPS=0.0
ARPLR=ARPLSR
ARBASR=AROLD
390 CONTINUE
C
C CALCULATE AVERAGE CONCENTRATION C DEPOSITIONS DUB TO AIR POINT SOURCE
C FOR RIVER
C
IFAIL=0
C
-------
165
C 1ST.FIND DEPLETION FACTOR (DEPFAC) FROM XMAX TO XMAXPR
C
CALL DO1AJF(DEPAVG,XMAX,XMAXPR,BPSABS,BPSRBL,DBPFAC,ABSBRR,WORK,
$ 800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O)GO TO 370
WRITE(IWP,365)IFAIL
365 FORMAT<1X.'PROBLEM WITH D01AJF CALL IN AIR, RIVBR SECTION, IFAIL
$ ',13)
STOP
370 CONTINUE
IFAIL=0
CALL DO1AJF(CAVGB,XMAX,XMAXPR,BPSABS,BPSREL,RESULT,ABSBRR,WORK,
$ 800.IWORK,102.IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL NOT EQUAL TO 0
C
IF(IFAIL.BQ.O)GO TO 375
WRITE(IWP,365)IFAIL
STOP
375 CONTINUE
C
C CALCULATE AVERAGE CONCENTRATION OVER RIVBR AND SOIL NEXT TO RIVBR
C
AVCNRS=QP*RESULT/TWLBNR
395 CONTINUE
C
C CALCULATE DRY AND WET DEPOSITION INTO RIVBR DUB TO POINT SOURCE
C IN KG/M**2/SBC
C
FDRIV=AVCNRS*UD
FWRIV=AVCNRS*UWET
C
C CALCULATE TOTAL DEPOSITION INTO BACH REACH IN KG/SBC
C
AWMOUR=AWMOUR+(FDRIV+FWRIV)*ARPLRXFLOAT(NR)
C
C CALCULATE DEPOSITION ONTO SOIL NEXT TO RIVBR DUB TO POINT SOURCE
C
IF(ARBASR.BQ.O.O)GO TO 398
FDSOIL=AVCNRS *UD
FWSOIL=AVCNRS*UWET
C
C DEPOSITION DUB TO VOLATILIZATION CONCENTRATION ABOVE MUST
C GO INTO SOIL AREA ARBASR; VALUES ARB IN KG/M**2/SBC
C
ASMODR=ASMODR*AROLD/ARBASR+FDSOIL*ARRTPS
ASMOWR=ASMOWR*AROLD/AREASR+FWSOIL*ARRTPS
GO TO 398
C
C CALCULATE DEPOSITION DUB TO AREA SOURCE
C
396 FDRIV=ACMAX*UD
FWRIV=ACMAX*UWET
-------
166
AWMOUR=AHMOUR+ARBARB*(FDRIV+FWRIV)
C
C DEPOSITION FOR SOIL SAME AS FOR RIVER (AREAS DIFFERENT HOWEVER)
C
ASMODR=ASMODR+FDRIV
ASHOWR=ASHOWR+PHRIV
AREASR=ARR*.0001
AVCNRS=ACHAX
ARPLSR=CTYLTH*CTYLTH
GO TO 398
397 AVCNRS=0.0
ARPLSR=0.0
398 IFdSTEP.GT.1 )GO TO 399
ASDEPR=0.0
ANDBPR=0.0
C
C CALCULATE TOTAL MONTHLY DEPOSITION IN UG ONTO SOIL (ASDBPR) I
C INTO HATER (AWDBPR) FOR RIVER
C
399 ASDBPR=ASDBPR+(ASMODR+ASMOWR)*AREASR*DT*1.OE+9
AWDBPR=AHDBPR+AHHOUR*DT*1.OB+9*FLOAT(NR)
IF(ISTBP.LT.NSTEPS) GO TO 400
C
C CALCULATE AVERAGE t MAXIMUM AIR CONCENTRATION IN UG/M**3
C
AVAIRR= (WSACON*AREAT+AVCNRS*ARPLSR) /AMAX1 (AREAT, ARPLSR)
AVAIRR=AVAIRR*1.OE+9
IF(AIRFLG.NE.ARBA)ACMAXR=(ACMAX+WSACON)*1.OE+9
C
C
400 IF(BSTU.NB.YES)RETURN
C
C CALCULATE CONCENTRATION IN AIR FROM ESTUARY VOLATILIZATION
C
ARBAE=HLBNB*HHIDB
IF(AIRFLG.BQ.AREA) ARB=(CTYLTH*CTYLTH-ARBAB)*10000.0
AREAT=ARBAB+ARB*.0001
WSAMIN=HAMOUB+SAMOUB
DBDGB=0.5 * SQRT(AREAT)
C=SQRT(2.0/PI)*DBDGB**0.25/0.0375
WSACON=C*HSAMIN/(AREAT*UW(MON,IYR))
IF(AK.BQ.O.O)GO TO 425
WSACON=WSACON*EXP(-DEDGE*AK/UW(MON,IYR))
425 CONTINUE
C
C CALCULATE WET (FWBST) ( DRY (FDBST) DEPOSITION
C
AHMINE=AHMOUE
ASMIDB=ASMODB
ASMIHB=ASMOHB
FDEST=WSACON*UDG
FHBST=HSACON*UHG
AHMOUB=FDBST+FNBST
C
C DEPOSITION RATE INTO ESTUARY AND ONTO SOIL ARE SAME; HOWEVER,
C THE AREAS THIS RATE GOBS INTO ARE DIFFERENT
-------
167
c
ASMODE=PDBST
ASMOHB=PWBST
ZP(ARB.NB.0.0)60 TO 427
ASMODB=0.
ASMOHB=0.
427 CONTINUE
AWMOUB=AWMOUB*ARBAB
IPCAIRPLG.EQ.NONB) GO TO 453
IF(AIRPLG.BQ.ARBA) GO TO 450
AROLD=ARE*.0001
ARB=AREASB*10000.
C
C ARE IS PLUME SURPACE AREA OVER SOZL NEXT TO ESTUARY (ZN CM**2l TO BE
C TRANSFERRED TO SBSOZL
C
ZP(ACMAX.BQ.O.O) GO TO 455
IPCISTBP.GT.1) GO TO 445
ABRTPS=1.0
C
C CONST = 2.0*0.08 ; CALCULATIONS OF AREAS BELOW ZNCLUDBS 2 SIGMAY'S ON
C EITHER SIDE OP PLUME CENTBRLINB
C
CONST=0.16
C
C CALCULATE SIGMA SUB Y'S
C
SIGY1=CONST*XMAX/SQRT(1.0+0.0001*XMAX)
XMAXPB=XMAX+HLENB
SIGY2=CONST*XMAXPE/SQRT(1.0+0.0001*XMAXPB)
C
C PIND AREA OP PLUMB OVER BSTUARY AND SOIL USING TRAPEZOID
C
ARPLSE=(SZGY1+SIGY2)*NLBNB
ARPLB=AREAB
IP(ARPLSB.LB.ARBAB) GO TO 435
C
C CALCULATE AREA OP PLUME OVER SOIL (ARBAPS) NEXT TO ESTUARY
C
ARBAPS=ARPLSE-ARBAE
ARBASB=ARBAPS
GO TO 440
435 ABRTPS=0.0
ARPLB=ARPLSB
AREASB=AROLD
440 CONTINUE
C
C CALCULCATB AVERAGE CONCENTRATION ( DEPOSITION DUB TO AIR POINT SOURCE
C
IPAIL=0
C
C 1ST, PIND DEPLETION PACTOR (DBPPAC) PROM XMAX TO XMAXPB
C
CALL DO1AJP(DBPAVG.XMAX,XMAXPB,BPSABS,BPSRBL,DBPPAC,ABSBRR,WORK,
$ 800,IHORK,102,IPAIL)
C
-------
168
C WRITE ERROR MESSAGE IF IPAZL NOT EQUAL TO 0
C
IF(IPAIL.EQ.O)GO TO U85
WRITE(IWP,480)IPAIL
480 FORMAT(1X,'PROBLEM WITH D01AJP CALL IN AIR. ESTUARY SECTION. IPAIL
$ = ',13)
STOP
485 CONTINUE
IPAIL=0
CALL DO1AJP(CAVGB,XMAX,XMAXPB,EPSABS,BPSREL,RESULT,ABSBRR,WORK,
$ 800,IWORK,102.IPAIL)
C
C WRITE ERROR MESSAGE IP IPAIL NOT EQUAL TO 0
C
IP(IPAIL.EQ.O)GO TO 490
WRITE(IWP.480)IPAIL
STOP
490 CONTINUE
C
C CALCULATE AVERAGE CONCENTRATION OVER ESTUARY AND SOIL NEXT
C TO ESTUARY
C
AVCNES=QP*RESULT/WLENE
445 CONTINUE
C
C CALCULATE DRY AND WET DEPOSITION INTO ESTUARY DUB TO
C POINT SOURCE IN KG/M**2/SEC
C
PDEST=AVCNES*UD
PWBST=AVCNBS*UWET
C
C CALCULATE TOTAL DEPOSITION INTO ESTUARY IN KG/SEC
C
AWMOUE=AWMOUE+(PDBST+PWEST)*ARPLB
C
C CALCULATE DEPOSITION ONTO SOIL NEXT TO ESTUARY DUB TO
C POINT SOURCE
C
IP(ARBASE.EQ.O.O)GO TO 455
PDSOIL=AVCNBS*UD
PWSOIL=AVCNES*UWBT
C
C DEPOSITION DUB TO VOLATILIZATION CONCENTRATION ABOVE MUST GO INTO
C SOIL AREA ARBASB; VALUES ARE IN KG/M**2/SEC
C
ASMODB=ASMODB*AROLD/ARBASB+PDSOIL*AERTPS
ASMOWE=ASMOWB*AROLD/ARBASE+FWSOIL*ABRTPS
GO TO 455
C
C CALCULATE DEPOSITION DUE TO AREA SOURCE
C
450 PDBST=ACMAX*UD
PWBST=ACMAX*UWET
AWMOUB=AWMOUE+ARBAE*(FDBST+FWBST)
C
C DEPOSITION POR SOIL SAMB AS POR ESTUARY (AREAS DIPPBRBNT, HOWEVER)
-------
169
C
ASMODE=ASMODB+FDBST
ASMOWB=ASMOWE+PWBST
AREASE=ARB*.0001
AVCNBS=ACMAX
ARPLSE=CTYLTH*CTYLTH
GO TO 455
453 AVCNBS=0.
ARPLSE=0.
455 IPdSTBP.GT.1 )GO TO 475
ASDBPE=0.0
AWDEPE=0.0
C
C CALCULATE TOTAL MONTHLY DEPOSITION ONTO SOIL AND INTO ESTUARY IN UG
C
475 ASDEPE=ASDEPE+(ASHODB+ASHOHB)*ARBASB*DT*1.OB+9
AWDEPB=AHDBPB+AWMOUB*DT*1.OB+9
IF(ISTBP.LT.NSTBPS) RETURN
C
C CALCULATE AVERAGE t MAXIMUM AIR CONCENTRATION IN UG/M**3 (ABOVE
C ESTUARY)
C
AVAIRE=(HSACON*AREAT+AVCNBS*ARPLSB)/AMAX1(ARBAT,ARPLSB>
AVAIRE=1.OB+9*AVAIRB
IF(AIRFLG.EQ.POINT)ACMAXE=(ACMAX+WSACON)*1.OB+9
RETURN
C
C
C NO WATER BODY IS CONSIDERED; COMPUTE CONCENTRATION OF AIR OVER SOIL
C
700 CONTINUE
IF(AIRFLG.EQ.AREA)ARS=CTYLTH*CTYLTH*10000.0
AREAT=ARS*0.0001
IF(AREAT.BQ.0.0)60 TO 725
C
C COMPUTE CONCENTRATION IN AIR DUE TO VOLATILIZATION FROM SOIL
C
SAMIN=SAMOUS
DBDGE=0.5*SQRT(ARBAT)
C=SQRT(2.0/PI)*DEDGE**0.25/0.0375
SACON=C*SAMIN/(ARBAT*UW(MON,IYR))
IP(AK.EQ.O.O)GO TO 725
SACON=SACON*BXP(-DBDGB*AK/UWCMON,IYR))
GO TO 730
725 CONTINUE
SACON=0.0
730 ASMIDS=ASMODS
ASMIWS=ASMOHS
C
C CALCULATE DRY C WET DEPOSITION ONTO SOIL DUB TO CONCENTRATION FROM
C VOLATILIZATION
C
ASMODS=SACON*UDG
ASMOWS=SACON*UHG
IF(AIRFLG.BQ.NONE)GO TO 753
IF(AIRFLG.EQ.AREA)GO TO 750
-------
170
AROLD=ARS*0.0001
ARS=AREAS*10000.
ZP(ACMAX.BQ.O.O)GO TO 755
IFdSTBP.GT. 1 )GO TO 745
C
C CONST=2.0*0.08 f CALCULATION OF AREAS BELOW INCLUDES 2 SIGMAY'S
C ON EITHER SIDE OP PLUME CENTBRLINE
C
CONST=0.16
C
C CALCULATE SIGMA SUB Y'S
C
SIGY1=CONST*XMAX/SQRT(1.0+0.0001*XMAX)
XMAXPS=XMAX+XLENS
SIGY2=CONST*XMAXPS/SQRT(1.0+0.0001 *XMAXPS)
C
C FIND AREA OF PLUMB OVER SOIL USING TRAPEZOID
C
ARPLS=(SIGY1+SIGY2)*XLBNS
AREAS=ARPLS
C
C CALCULATE AVERAGE CONCENTRATION C DEPOSITION DUE TO AIR POINT SOURCE
C
IFAIL=0
C
C 1ST, FIND DEPLETION FACTOR (DEPFAC) FROM XMAX TO XMAXPS
C
CALL DO1AJF(DBPAVG,XMAX,XMAXPS,BPSABS,BPSRBL,DBPFAC,ABSBRR,
$ WORK,800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL .NB. 0
C
IF(IFAIL.BQ.O)GO TO 735
WRITE(IWP,732)IFAIL
732 FORMAT(1X,'PROBLEM WITH D01AJF CALL IN AIR, SOIL SECTION, IFAIL =
$'.13)
STOP
735 CONTINUE
IPAIL=0
CALL D01AJF(CAVGE,XMAX,XMAXPS,EPSABS,BPSRBL,RESULT,ABSBRR,
$ WORK,800,IWORK,102,IFAIL)
C
C WRITE ERROR MESSAGE IF IFAIL .HE. 0
C
IP(IFAIL.BQ.O)GO TO 740
WRITE(IWP,732)
STOP
740 CONTINUE
C
C CALCULATE AVERAGE CONCENTRATION IN AIR OVER SOIL AVCNS
C
AVCNS=QP*RBSULT/XLBNS
745 CONTINUE
C
C CALCULATE DRY t WBT DEPOSITION ONTO SOIL DUB TO POINT SOURCE
C IN KG/M**2/S
-------
171
c
FDSOIL=AVCNS*UD
FWSOIL=AVCNS*UWBT
C
C DEPOSITION DUB TO VOLATILIZATION CONCENTRATION ABOVE MUST GO INTO
C SOIL AREA AREAS; VALUES ARE IN KG/H**2/S
C
ASMODS=ASMODS*AROLD/ARBAS+FDSOIL
ASMONS=ASMOWS*AROLD/ARBAS+PWSOIL
GO TO 755
C
C CALCULATE DEPOSITION DUE TO AREA SOURCE
C
750 FDSOIL=ACMAX*UD
FWSOIL=ACMAX*UWBT
ASMODS=ASMODS+FDSOIL
ASHOHS=ASHOWS+FWSOIL
AREAS=ARS*.0001
AVCNS=ACMAX
ARPLS=CTYLTH*CTYLTH
GO TO 755
753 AVCNS=0.
ARPLS=0.
755 IFdSTEP.GT.DGO TO 775
ASDBPS=0.0
C
C CALCULATE TOTAL MONTHLY DEPOSITION ONTO SOIL IN UG
C
775 ASDBPS=ASDBPS+(ASMODS+ASMOWS)*ARBAS*DT*1.OB+9
IF(ISTEP.LT.NSTBPS)RETURN
C
C CALCULATE AVERAGE C MAXIMUM AIR CONCENTRATION ABOVE SOIL IN UG/M**3
C
AVAIRS=(SACON*ARBAT+AVCNS*ARPLS >/AMAX1(ARBAT,ARPLS)
AVAIRS=1.OB+9*AVAIRS
IF(AIRFLG.NB.AREA)ACMAXS=(SACON+ACMAX)*1.OE+9
RETURN
END
-------
172
SUBROUTINE ALPHA(IMON,IYR)
COMMON/SDPARB/SBDCEC12,10).CONSDB
COMMON/SDPARO/SBDCO(12,10).CONSDO
COMMON/SDPARR/SBDCR(12,10),DZASDR,DBNSDR,DBNWR,SLOPBR,CONSDR
COMMON/SDPARL/SBDCL(12,10),DZASDT,DBNSDT,DENWT,SLOPET,WDBPT,CONSDL
COMMON/EQUIL/DISK,HPLUSL,HPLUSR,HPLUSB,HPLUSO,
t SWKSHL,SWKSWR.SWKSWB,SWKSWO
COMMON/FLAGS/AIRPLG,AZRPOL,TRICON,LAKE,RIVBR,
$ ESTU,OCEAN,SBDRIV,SBDLKB,DISFLG,CHMFLG,HATBOD
COMMON/ALPHAS/AIL,A2L.A3L,A1R,A2R.A3R,A1E,A2B.A3B,
$ A1O.A2O.A3O
REAL LAKE
DATA YES/4H YES/,EPS/1.OE-5/,BASB/4HBASE/,ZDENOM/1/,NONE/4HNONB/
IWP=13
MON=IMON
IF(MON.GT.1.OR.IYR.GT.1)GO TO 50
IF(CHMFLG.BQ.BASE.AND.DISK.BQ.0.0)IDENOM=0
C
c
50 IP(LAKE.NB.YBS)GO TO 100
IF(IDBNOM.BQ.O)GO TO 75
IF(MON.GT.1.OR.IYR.GT.1)GO TO 70
C
C COMPUTE DISSOCIATION CONSTANT OVER H-PLUS (DISOHL) TO BE USED BELOW.
C
IF(CHMFLG.EQ.NONE)GO TO 60
C
C IF CHMFLG IS BASE THEN CONVERT HPLUS TO [OH-]
C
IF(CHMFLG.EQ.BASE)HPLUSL=1.OB-14/HPLUSL
DISOHL=DISK/HPLUSL
IF(CHMFLG.BQ.BASE)DISOHL=1.0/DISOHL
DISP1L=DISOHL+1.0
GO TO 70
60 DISP1L=1.0
DISOHL=0.0
70 CONTINUE
C
C CONSDL IS IN KG/M**3; NEED KG/L HERE, SO MULTIPLY BY 0.001.
C COMPUTE ADSORPTION TERM (ADSORB) AND DENOMINATOR (DBNOM)
C
ADSORB=SHKSWL*CONSDL*.001
DBNOM=DISP1L+ADSORB
C
C CALCULATE ALPHA 1 C 2 i 3 FOR LAKE.
C
A1L=1.0/DBNOM
A2L=DISOHL/DBNOM
A3L=ADSORB/DBNOM
GO TO 80
75 A1L=0.0
A2L=1.0
A3L=0.0
80 CONTINUE
IF((A1L+A2L+A3L-1.0).LT.BPS)GO TO 100
-------
173
C WRITE ERROR MESSAGE
C
WRITE(IWP,90)
90 FORMATMX,'ERROR IN ALPHA ROUTINE, ALPHAS FOR LAKE DO MOT ADD UP T
$0 1.0')
STOP
C
C
100 IF(RIVER.HE.YES)GO TO 200
IF(IDENOM.EQ.O)GO TO 150
IFCMON.GT.1.OR.IYR.GT.1)GO TO 170
C
C COMPUTE DISSOCIATION CONSTANT OVER H-PLUS (DISOHR) TO BE USED BELOW.
C
IF(CHMFLG.EQ.NONB)GO TO 160
C
C IF CHMFLG IS BASE THEN CONVERT HPLUS TO |OH-]
C
IF (CHMFLG. EQ. BASE)HPLUSR= 1 . OB-1 4/HPLUSR
DISOHR=DISK/HPLUSR
IF(CHMFLG.EQ.BASE)DISOHR=1.0/DISOHR
DISP1R=DISOHR+1.0
GO TO 170
160 DISP1R=1.0
DISOHR=0.0
170 CONTINUE
C
C CONSDR IS IN KG/M**3, NEED KG/L, SO MULTIPLY BY .001
C COMPUTE ADSORPTION TERM (ADSORB) AND DENOMINATOR (DENOM)
C
ADSORB=SWKSWR*CONSDR*.001
DBNOM=DISP1R+ADSORB
C
C COMPUTE ALPHA 1 t 2 t 3 FOR RIVER.
C
A1R=1.0/DENOM
A2R=DISOHR/DBNOM
A3R=ADSORB/DENOM
GO TO 175
150 A1R=0.
A2R=1.
A3R=0.
175 CONTINUE
IF((A1R+A2R+A3R-1.0).LT.BPS)GO TO 200
C
C WRITE ERROR MESSAGE
C
WRITE(IWP,180)
180 FORMATMX,'ERROR IN ALPHA ROUTINE, ALPHAS FOR RIVBR DO NOT ADD UP
$TO 1.0')
STOP
C
C
200 IF(ESTU.NB.YBS)GO TO 300
IP(IDBNOM.EQ.O)GO TO 250
IF(MON.GT.1.OR.IYR.GT.1)GO TO 270
-------
174
C
C COMPUTE DISSOCIATION CONSTANT OVER H-PLUS (DISOHE) TO BE USED BELOW.
C
IP(CHMPLG.EQ.NONE)GO TO 260
C
C IP CHMPLG IS BASE THEN CONVERT HPLUS TO [OH-]
C
IP(CHMPLG.EQ.BASE > HPLUSB=1 .OB-1 */HPLUSE
DISOHE=DISK/HPLUSB
IP(CHMPLG.BQ.BASE>DISOHB=1.0/DISOHB
DISP1E=DISOHE+1.0
GO TO 270
260 DISP1E=1.0
DISOHB=0.0
270 CONTINUE
C
C CONSDE IS IN KG/M**3, NEED KG/L HERE, SO MULTIPLY BY .001
C COMPUTE ADSORPTION TERM (ADSORB) AND DENOMINATOR (DENOM)
C
ADSORB=SWKSHE*CONSDB*.001
DENOM=DISP1B+ADSORB
C
C COMPUTE ALPHA 1 t 2 & 3 POR ESTUARY
C
A1E=1.0/DENOM
A2E=DISOHB/DBNOM
A3B=ADSORB/DENOM
GO TO 275
250 A1B=0.
A2E=1 .
A3E=0.
275 CONTINUE
IF((A1E+A2B+A3E-1.0).LT.EPS )GO TO 300
C
C WRITE ERROR MESSAGE
C
WRITE(IHP,280)
280 FORMAT(1X,'ERROR IN ALPHA ROUTINE, ALPHAS POR ESTUARY DO NOT ADD U
$P TO 1.0')
STOP
C
C
300 IP(OCEAN.NB.YBS)RETURN
IP(IDBNOM.BQ.O)GO TO 350
IP(MON.GT.1.OR.IYR.GT.1)GO TO 370
C
C COMPUTE DISSOCIATION CONSTANT OVER H-PLUS (DISOHO) TO BE USED BELOW.
C
IP(CHMPLG.EQ.NONE)GO TO 360
C
C IP CHMPLG IS BASE THEN CONVERT HPLUS TO [OH-]
C
IP(CHMPLG.BQ.BASE)HPLUSO=1.OB-14/HPLUSO
DISOHO=DISK/HPLUSO
IP(CHMPLG.BQ.BASE)DISOHO=1.0/DISOHO
DISP1O=DISOHO+1.0
-------
175
360
370
GO TO 370
DISP10=1.0
DISOHO=0.0
CONTINUE
C CONSDO IS IN KG/M**3, NEED KG/L HERE, SO MULTIPLY BY .001
C COMPUTE ADSORPTION TERM (ADSORB) AND DENOMINATOR (DENOM)
C
ADSORB=SHKSHO*CONSDO*.001
DENOM=DISP1O+ADSORB
C
C COMPUTE ALPHA 1i2i3 FOR OCEAN
C
A1O=1.0/DENOM
A2O=DISOHO/DENOM
A3O=ADSORB/DBNOM
GO TO 375
350 A10=0.
A20=1.
A3O=0.
375 CONTINUE
IP((A10+A2O+A3O-1
0).LT.EPS)RETURN
C WRITE ERROR MESSAGE
C
WRITE(IWP,380)
380 FORMATdX,'ERROR IN ALPHA ROUTINE, ALPHAS FOR OCEAN DO NOT ADD UP
$TO 1.0')
STOP
END
-------
176
SUBROUTINE BIOCHNCIMO.IYR)
COMMON /EX/ JRUN,LEVEL,JRB,JSO,JCH,JNUT.JAPPL,JYRS
COMMON /SO/ SOIL1(6),SOIL2C6)
COMMON /CH/ CHBM1(18)
COMMON/FLAGS/AXRPL6,AIRPOL,TRICON,LAKE,RIVER,
$ BSTU,OCEAN,SBDRIV,SEDLKB,DISPLG,CHMPLG,HATBOD
COMMON/HPARR/WVBLR(12,10),WMINR(12,10),WMTRIV(20),
f NR,WWIDR,HLBNR,HDBPR,HVOLR,WMTOLD,ARBAR
COMMON/WPARE/WVBLE(12,10),WHINE(12,10),TIDMAX,EL,WWIDE,
f WLBNB,WDBPB,NPTSE,ARBAE
COMMON/HPARO/HVBLO(12.10),WCINO(12,10).BO,XOCBAN,NPTSO
COMMON/SPARS/ARS,AREAS,XLENS
COMMON/SPARL/ARL,AREASL,XSOIL
COMMON/SPARR/ARR,ARBASR
COMMON/SPARE/ARE,ARBASB
COMMON/OUT/ACMAXL, AVAIRL,AVAIRR,AVAIRB,AWDBPL,AWDBPR,AWDBPB,
$ ASDBPL,ASDBPR,ASDEPB,HVOLAL,WVOLAR,HVOLAB,SVOLAL,
f SVOLAR,SVOLAB,SWSURL,SWSURR,SHSURB,SWGRWL,SWGRWR,
$ SWGRWB,SCONUL,SCONUR,SCONUE,SCONLL,SCONLR,SCONLB,
$ CONL1,CONL2,CONL3,CONR1(20),CONR2(20),CONR3(20),
$ CNCBD1(11),CNCBD2(11),CNCBD3(11),CNCEU1(11),CNCBU2(11).
$ CNCBU3M1 ) ,XBSTY(11 ) .CONO1 (1 0 ) ,CONO2( 1 0 ) ,CON03(10) ,
$ RBSUSE,WASHL,NASHR,WASHB,ACMAXR,ACMAXB,ACMAXS,
$ AVAIRS,ASDBPS,SVOLAS,SWGRHS,SCONUS,SCONLS,RBSUSS,
$ RESUSL,RBSUSR,SCONML,SCONMR,SCONMB,SCONMS,SWSURS,
$ HASHS,AREA1(3)
REAL KOW, LAMBDA, NO, KD, KOC , LOGKOW, LAKE
DIMENSION AMOM2)
DATA AMO/' OCT',' NOV',< DEC',1 JAN',1 FEB',' MAR',
$' APR',' MAY',' JUN',' JUL',' AUG',' SBP•/
DATA YES/' YES'/,NO/' NO'/
IF(IMO.NB.1.OR.IYR.GT.1>GO TO 280
IRB=18
IWB=19
READ(IRB,10)COVFLG
10 FORMAT(AU)
WRITE(1KB,20)
20 FORMAT('1', 44X,'FOOD CHAIN BIOACCUMULATION FLAG')
WRITE(IHB,30)
30 FORMAT('0',26X,'OPTION CHOSEN',6X,'NAME',21X,'MEANING',/)
IF(COVFLG.BQ.YES)GO TO 70
IF(COVFLG.NB.NO)GO TO 50
WRITE(IHB,40)
40 FORMAT(38X, 'NO' ,5X, 'COVFLG',5X, 'SIGNIFIES COMPOUND IS NOT A COVALE
(NTLY BONDING MATERIAL')
GO TO 100
50 WRITE(IWB,60)COVFLG
60 FORMAT(1X,'ERROR IN DATA: COVFLG DOES NOT EQUAL YES OR NO, BUT = '
S.A4)
STOP
70 WRITB(IWB,80)
80 FORMAT(37X,'YES',5X, 'COVFLG',5X,'SIGNIFIES COMPOUND IS A COVALBNTL
$Y BONDING MATERIAL',///)
WRITE(IWB,90)
90 FORMAT(37X,'BIOACCUMULATION CANNOT BE ESTIMATED BY THE EMPLOYED MB
ITHOD')
-------
177
RETURN
100 CONTINUE
C
C ZNZTIALXZB CONCENTRATION VARIABLES FOR AQUATIC C PLANT PHASES FOR
C LAKE, RIVER, ESTUARY, OCEAN, I SOIL-AIR OPTION.
C
CONAQL=0.
CONPLL=0.
CONPLR=0.
CONAQR=0.
CONPLE=0.
CONAQE=0.
CONAQO=0.
CONPLS=0.
READdRB, 110)KOH,R,YV,LAMBDA,TE
110 FORMAT(20X,6B10.3)
WRITE(IWB,120)
120 FORMAT('0'.////,42X,'POOD CHAIN BIOACCUMULATION PARAMETERS')
WRITB(IWB,130)
130 FORMAT('0',30X,'DEFINITION',20X.'NAME',9X,'UNIT',6X,'VALUE',/)
WRITE(IWB,140)ROW
140 FORMAT(19X,'N-OCTANOL WATER PARTITION COEFFICIENT',6X,'KOW',9X,'(-
$)',4X,1PE10.3)
IF(OCBAN.BQ.YBS.AND.LAKB.BQ.NO.AND.RIVBR.BQ.NO.AND.BSTU.EQ.NO)
9 GO TO 205
WRITB(IWB,150)R
150 FORMAT(27X,'INITIAL INTERCEPTION FRACTION',7X,'R',1 OX,'<-)',«X,
S1PB10.3)
WRITE(IWB,160)YV
160 FORMAT(37X,'FORAGE PRODUCTIVITY',6X,'YV,9X,'G/M**2',2X,1PE10.3)
WRITE(IWB,170)LAMBDA
170 FORMAT(37X,'WEATHERING CONSTANT',4X,'LAMBDA',6X,'DAY**-1',2X,
S1PB10.3)
WRITECIWB,180)TB
180 FORMAT(18X,'GROWTH PERIOD OF FORAGE BEFORE HARVEST',6X,'TB',1 OX,
S'DAY',4X.1PB10.3)
C
C COMPUTE SOIL DENSITY RS IN G/M**3 (RS IS INPUT IN G/CM**3)
C
RS=SOIL1(1)*1.08+6
KD=CHBM1(6)
IF(KD.NB.O.)GO TO 190
KOC=CHBM1(2)
OC=SOIL1(5)
KD=KOC*OC/100.
190 WRITE(IWB.200)KD
200 FORMAT(24X,'SOIL WATER PARTITION COEFFICIENT',6X,'KD',1 OX,'(-)',
I4X.1PB10.3)
205 WRITB(IWB,210)
210 FORMAT(/////,49X,'BIOACCUMULATION FACTORS: ')
IF(WATBOD.BQ.NO)GO TO 225
BCFAQ=0.048*KOW
WRITE(IWB,220)BCFAQ
220 FORMAT('0',23X,'BCFAQ (AQUATIC) = CONC. IN TISSUE (FRESH WT.)/CONC
$. IN WATER (ML/G) = '.1PB10.3)
IF(OCEAN.BQ.YBS.AND.LAKE.BQ.NO.AND.RIVER.BQ.NO.AND.BSTU.BQ.NO)
-------
178
fGO TO 273
225 BCFPL=BXP((ALOG(KD)-3.02>/(-0.85))
WRITE!1MB,230 JBCFPL
230 FORMAT(24X,'BCPPL (PLANT) = CONC. IN TISSUE (DRY WT.)/CONC. IN SOI
$L (UNZTLBSS) = '.1PB10.3)
WRITE(IWB,240)
240 FORMAT(/,24X.'BCPAN (ANIMAL) = CONC. IN TISSUE (FRESH HT.)/CONC. I
IN DIET (UNITLBSS):')
LOGKOH=ALOG10(ROW>
IF(LOGKOW.GB.3.5)GO TO 260
WRITB(IWB,250)
250 FORMAT(41X,'* BCFAN OF THE COMPOUND IS LIKELY TO BE LESS THAN 0.1'
$,////)
GO TO 272
260 WRITB(IWB,270)
270 FORMAT(41X,'* THE COMPOUND MAY BE BIOACCUMULATBD WITH A BCFAN OF A
$T LEAST 0.1',////)
272 CONTINUE
C
C THE FOLLOWING PARAMETERS ARE CONSTANTS USED IN THE EQUATIONS BELOW
C
TBLAM=TB*LAMBDA
BCFPRS=BCFPL/RS
PLFAC=(R/(YV*LAMBDA)>*(1 . 0-«1 .0-EXP(-TBLAM))/TBLAM))/30.0
273 WRITE(IWB,274)
274 FORMAT('0',26X.'* CONCENTRATIONS IN AQUATIC ORGANISMS AND TBRRBSTR
SIAL PLANTS (FORAGE) IN UG/G',/)
WRITE(IWB.276)
276 FORMAT(25X,'LAKE',23X,'RIVER',21X,'ESTUARY',15X,'OCEAN',5X,'SOIL-A
SIR OPTION')
WRITE(IWB,278)
278 FORMAT(16X,3(2X,'AQUATIC',5X,'PLANTS',7X),2X,'AQUATIC',8X,'PLANTS'
$./>
GO TO 290
280 IF(COVFLG.BQ.YES)RETURN
290 CONTINUE
IF(WATBOD.BQ.NO)GO TO 600
C
C
IF(LAKE.NB.YES)GO TO 300
C
C COMPUTE CONCENTRATIONS IN AQUATIC ORGANISMS C TERRESTRIAL PLANTS
C FOR LAKE SIMULATION.
C
CONAQL=BCFAQ*(CONL1+CONL2+CONL3)/1.OE+6
IF(ARBASL.BQ.O.O)GO TO 300
CONPLL=BCPPRS*SCONUL+PLFAC*ASDBPL/ARBASL
C
C
300 IF(RIVBR.NB.YBS)GO TO 400
C
C COMPUTE CONCENTRATIONS IN AQUATIC ORGANISMS t TERRESTRIAL PLANTS
C FOR RIVER SIMULATION. (USB MAXIMUM CONCENTRATION IN RIVER)
C
CONRIV=0.0
DO 350 1=1,NR
-------
179
350 CONRIV=AMAX1(COHRZV,(CONR1(I>+CONR2(I)+CONR3(I)))
COMAQR=BCFAQ*COMRIV/1.OE+6
ZP(ARBASR.BQ.O.O)GO TO 400
COMPLR=BCFPRS*SCONUR+PLPAC*ASDBPR/ARBASR
C
c
400 ZP(BSTU.MB.YBS)GO TO 500
C
C COMPUTE CONCENTRATIONS IN AQUATIC ORGANISMS ft TERRESTRIAL PLANTS
C FOR ESTUARY SIMULATION (USE MAXIMUM CONCENTRATION IN ESTUARY).
C
CONEST=0.0
NPTSP1=NPTSB+1
DO 450 1=1,NPTSP1
450 CONBST=AMAX1(CONEST,(CNCBD1(I>+CNCBD2(I)+CNCBD3(I)),
ft (CNCBU1 (I)+CNCBU2(I)+CNCEU3(I» >
CONAQE=BCFAQ*CONEST/1.OB+6
IF(ARBASB.BQ.O.O)GO TO 500
CONPLB=BCFPRS*SCONUB+PLFAC*ASDBPB/ARBASB
C
C
500 IF(OCEAN.NE.YES)GO TO 700
C
C COMPUTE CONCENTRATIONS IN AQUATIC ORGANISMS FOR OCEAN (USB MAXIMUM
C CONCENTRATION IN OCEAN)
C
CONOCN=0.0
DO 550 1=1,NPTSO
550 CONOCN=AMAX1(CONOCN,(CONO1(1)+CONO2(I)+CONO3(I)))
CONAQO=BCFAQ*CONOCN/1.OB+6
GO TO 700
C
C
C HERB, SIMULATION CONSIDERS ONLY AIR-SOIL INTERACTIONS; IB NO
C HATER BODY IS CONSIDERED.
C
600 CONPLS=BCFPRS*SCONUS+PLFAC*ASDEPS/ARBAS
C
C WRITE OUT RESULTS
C
700 WRITE(IWB,800)AMO(IMO),CONAQL,CONPLL,CONAQR,CONPLR,CONAQB,CONPLB,
$ CONAQO.CONPLS
800 FORMAT(10X,A4.2X.3(1PB10.3,2X,1PB10.3.5X).1PB10.3.5X.1PB10.3)
IF(IMO.EQ.12.AND.IYR.BQ.JYRS)GO TO 900
RETURN
900 WRITE(IWB,1000)
1000 PORMAT(////,56X,'* CAUTION',/)
WRITE(IWB,1100)
1100 FORMAT(27X,'NO CONPIDBNCB SHOULD BE PLACED IN THE METHODS USED TO
$ CALCULATE')
WRITE(IWB,1200)
1200 FORMAT(27X,'CONCENTRATION IN AQUATIC ORGANISMS OR IN TBRRBSTRIAL P
SLANTS VIA ROOT')
WRITE(IWB,1300)
1300 FORMAT(27X,'UPTAKE, OR TO EVALUATE BIOACCUMULATION POTENTIAL IN TE
SRRBSTRIAL ANIMALS, IF:',/)
-------
180
WRITE
-------
181
REAL FUNCTION CAVGB(X)
COMMON/AIRPAR/QS(12,10>,UW(12,10),HMIX(12,10),CTYLTH,
$ UDG,UDP,HRATG,WRATP,AK,HS,VS,SRAD,RHO,BNTPY
COMMON/CAVPAR/HBPPIV,XMAX,HMIXZ,U,VG,UDPW,DBPPAC
PI=3.1415927
SIGZMX=2.0*(HMIXZ-HBPPXV)/2.15
C
C CALCULATE SIGMA SUB Y AND Z
C
SXGMAY=0.08*X/SQRT( 1 .0+O.OOOKX)
SIGHAZ=0.06*X/SQRT(1.0+0.0015*X>
IP(SIGHAZ.GT.SIGZHX) SIGMAZ=SZGZMX
C
C INTEGRATE CAVGB PROM A TO X-PINAL BY D01AJP TO PIND AVERAGE AIR CONCENTRATION
C
CAVGE=BXP(-0.5*((HEPPIV-VG*X/U)/SIGMAZ)**2-SQRT(2.0/PI)*UDPH/U
$*DBPPAC-AK*X/U)/(2.0«SQRT(2.0*PI)*SIGMAY*SIGMAZ*U)
C
RETURN
END
-------
182
REAL FUNCTION DBPAVG(X)
COMMON/AZRPAR/QS(12,10),UW(12,10).HMZX(12,10),CTYLTH.
f UDG,UDP,WRATG,HRATP,AK,HS,VS,SRAD,RHO,BNTPY
COMMON/CAVPAR/HBPPXV,XMAX,HHIXZ,U,VG,UDPW,OBPFAC
SIGZHX=2.0*(HMZXZ-HBPPZV)/2.15
SZGMAZ=0.06*X/SQRT(1.0+0.0015*X)
C
C CALCULATE SIGMA SUB Z
C
IF(SIGMAZ.GT.SZGZHX)SIGMAZ=SIGZMX
C
C CALCULATE AVERAGE DBPLBTZON - THZS ZS ZNTBGRATBD FROM A TO X-FZNAL
C BY ROUTZNB D01AJF
C
DBPAVG=BXP(-0.5*((HBFFIV-VG*X/U)/SZGMAZ)**2)/SZGHAZ
C
RBTURN
END
-------
183
SUBROUTINE FUNLAU(DIASBD,DBNSBD,DBNWAT,WDEPTH,SLOPE,TCRIT,
t FUNC.TOPFAC.RATIO)
DIMENSION SVFL(26),P(26),BPUNC(26),CPUNC(26),DPUNC(26),DIAVFL(12),
$ VPL(12),BVPALL(12),CVPALL(12),DVPALL(12),DIATHE(22),SHIBLD(22),
$ BTHETA(22),CTHETA(22),DTHETA(22)
C
C DIATHB, SHIELD, BTHBTA, CTHBTA, t DTHBTA ARE PARAMETERS
C NEEDED IN SPLINE CALCULATION OP SHIELDS FACTOR (THBTA) BELOW.
C
DATA DIATHB/.01,.015,.02,.03,.04,.06,.08,.1,.15,.2,.3,.4,.6,.8,
$ 1.0,1.5,2.0,3.0,4.0,6.0.8.0,10.O/
DATA SHIELD/1.0,.60,.43,.275,.20..17,.12,.085,.06,.05,.038,.034,
f .032,.033,.034,.04,.045,.053,.056..059,.06,.06/
DATA BTHBTA/-112.5423,-51.66603,-22.79358,-10.40648,-4.580516,
-1 .203952,-2.603676,-1.131346,-.1963915,-.1830883,
-.06868714,-.02216312,.0003529924,.005751148..006642417,
.01262521,.008856734,.005609170,.001706586,.001042143,
.0001248412,-.00004150783/
DATA CTHBTA/7350.127,4825.127,949.3631,289.3469,293.2492,
-124.421,54.43484,19.18166,-.4825736,.7486376,.3953741,
.06986621,.04271434,-.01572356,.02017991 ,-.008214317,
.0006773615,-.003924926,.00002234224,-.0003545637,
-.0001040873,.00002091275/
DATA DTHBTA/-168333.3,-258384.3,-22000.54,130.0753,-6961.17,
2980.931,-587.553,-131.0949,8.208074,-1.1 77545,
-1.085026,-.04525312,-.0973965,.05983912,-.01892948,
.005927786,-.001534096,.001315756,-.00006281766,
.00004174608,.00002083333,.00002083333/
C
C DIAVFL, VPL. BVPALL, CVPALL, DVPALL ARE PARAMETERS NEEDED IN SPLINE
C CALCULATION OP PALL VELOCITY (VPALL) BELOW.
C
DATA DIAVFL/.035,.O5..08,.1,.2,.5,.8,1.,2.,5.,8.,10./
DATA VPL/.001,.0021,.0053,.0084,.028,.062,.082,.094,.130,
$ .20,.245,.270/
DATA BVFALL/.06516542,.0822833,.1359694,.1702466,.1901943,
$ .07170594,.06298195,.05558953,.02601584..01910471,
$ .01256532,.01287912/
DATA CVFALL/.4923909,.6488011,1.140735,.5731256,-.3736484,
$ -.02131277,-.00776719,-.0291949,-.0003787943,-.001924914,
$ -.0002548826,.0004117841/
DATA DVPALL/3.475783,5.465927,-9.460148,-3.155913,.3914841,
t .01505064,-.03571286,.00960537,-.0001717911,.0001855591 ,
$ .0001111111,.0001111111/
c
C SVPL, P, BPUNC, CPUNC, DPUNC ARE PARAMBTBRS NEEDED IN SPLINE CALCULATION
C OP LAURSBN'S FUNCTION (PUNC) BELOW.
C
DATA SVPL/-4.60517,-3.91202,-3.21887,-2.81341,-2.52573,-2.30258,
$ -1.60944,-.91629.-.51083,-.22314,0.,.69315,1.38629,1.79176,
$ 2.07944,2.30258,2.99573,3.68888.4.09434,4.38203,4.60517,5.29832,
$ 5.99146,6.39693,6.68461.6.90776/
DATA P/1 .253,1.411,1.569.1.668,1 .758.1.792,1 .960,2.197,2.398,
$ 2.565,2.773,3.496,4.867.5.768,6.397,6.867,8.455,9.245,9.904,
f 10.1 27,10.275,10.545,10.692,10.799,10.878,10.933/
DATA BFUNC/.2288849,.2309644,.2149268,.3161113,.2249758,.1409309,
-------
184
.2907453,.4489659,. 4939646,.7892218,.9613132,1.469371,2.224274,
2.227120,2.096494,2.233934,1.642620,1.487729,1.199183,.6293903,
.6281968,.2352389,.2356600,.2792161,.2636840,.22S4239/
DATA CPUNC/-.007068473,.01006856,-.03320577,.2827604,-.5995552,
.2229258,-.006787031,.2350501,-.1240681,1.150371,-.3791451,
1.112114,-.02300823,.03002671,-.4840906,1.100025,-1.9531 07,
1.729647,-2.441297,.4607183,-.466067,-.1008493,.1014569,
.005964327,-.05995511,-.1114997/
DATA DFUNC/.008241137,-.02081047,.2597594,-1.022335,1.228592,
-.1104696,.1162986,-.2952353,1.476635,-2.284838,.7171412,
-.5458842,.04359956,-.5957051,2.366401,-1.46824,1.771023,
-3.428981,3.362434,-1.384460,.1756319,.09728969,-.07850358,
-.07638051,-.0769955,-.0769955/
IWP=13
C
C DIASED IS SEDIMENT MEDIAN DIAMETER IN MM.
C
DIA=DIASBD
IP(DIASBD.GB.DIATHBd) . AND.DIASED. LB.DIATHB(22»GO TO 10
IF(DIASBD.LT.DIATHEd) )DIA=DIATHB( 1 )
IF(DIASBD.GT.DIATHB(22»DIA=DIATHB(22)
WRITBdWP.S)
5 FORMATMX,'WARNING IN FUNLAU: THE SEDIMENT DIAMETER IS OUTSIDE THE
$ BOUNDS OF THE SHIELDS FACTOR CURVE; CODE. USED BNDPOINT')
10 THBTA=SPLBVA(22,DIA.DIATHB,SHIELD,BTHBTA,CTHBTA,DTHBTA)
C
C DIASDM IS SEDIMENT MEDIAN DIAMETER IN M.
C
DIASDM=0.001*DIASBD
C
C CONVERT DENSITY OF SEDIMENT (DBNSED) AND DENSITY OF HATER
C (DENWAT) FROM G/CM**3 TO KG/M**3.
C
DENSBD=DBNS ED*1000.0
DBNWAT=DENWAT*1000.0
C
C CALCULATE CRITICAL TRACTIVE FORCE FOR BEGINNING OF
C SEDIMENT TRANSPORT.
C
TCRIT=THETA*(DBNSBD-DBNWAT > *DIASDM
DIADTB>DIASDM/WDBPTH
C
C COMPUTE FACTOR (TOPFAC) USBD IN BOUNDARY SHEAR EQUATION IN SBDCON.
C
TOPFAC=DBNWAT*(DIADTH)**(1./3.1/590.0928
C
C CALCULATE RATIO OF SEDIMENT DIAMETER TO WATER DEPTH RAISED
C TO THE 7/6 POWER (TO BE USBD IN LAURSBN'S FORMULA BELOW).
C
RATIO=DIADTH**(7.0/6.0)
C
C CALCULATE SQ. ROOT OF BOUNDARY SHEAR (SHBAR) USBD IN LAURSBN'S
C FORMULA BELOW.
C
SHBAR=SQRT(WDBPTH*SLOPB*9.80665)
-------
185
C COMPUTE PALL VELOCITY (M/S).
C
DIA=DXASED
IF(DIASBD.GB.DIAVPL(1).AND.DIASED.LE.DIAVPL(12))GO TO 20
IP(DZASBD.LT.DZAVPL(1))DIA=DZAVPL(1)
IP(DIASBD.GT.OIAVPL(12))DIA=OIAVPL(12)
WRITE(IWP,15)
15 FORMAT<1X,'WARNING IN PUHLAU: THE SEDIMENT DIAMETER IS OUTSIDE THE
$ BOUNDS OP THE PALL VELOCITY CURVE; CODE USED BNDPOINT1)
20 VPALL=SPLBVA(12,DIA,DIAVPL,VPL.BVPALL,CVPALL,DVPALL)
C
C CALCULATE FUNCTION NBBDBD IN LAURSBN'S PORMULA. LOG'S USED POR ACCURACY.
C
SHBVPL=ALOG(SHBAR/VPALL)
IP(SHBVPL.GB.SVPL(1>.AND.SHBVPL.LB.SVPL(26»GO TO 50
IP( SHBVPL.LT.SVPLM))SHBVPL=SVPL(1)
IP(SHBVPL.GT.SVPL(26))SHBVPL=SVPL(26)
WRITE(IWP,25)
25 FORMATMX,'WARNING IN PUNLAU: THB BOTTOM SHEAR VELOCITY DIVIDED BY
* THB PALL VELOCITY IN LAURSBNS PUNCTION IS OUTSIDB THB BOUNDS OP L
$AURSENS CURVE; CODE USED ENDPOINT')
50 PUNC=SPLBVA(26,SHBVPL,SVFL,P,BPUNC,CPUNC,DFUNC)
PUNC=BXP(PUNC)
RETURN
END
-------
186
SUBROUTINE OUTPUT(HON,IYR)
COMMON/OUT/ACMAXL,AVAZRL,AVAZRR,AVAZRB,AWDBPL,AHDBPR,AHDBPB,
$ ASDBPL,ASDBPR.ASDBPB.WVOLAL.HVOLAR,HVOLAB,SVOLAL,
$ SVOLAR,SVOLAB,SHSURL,SHSURR,SHSURB,SWGRWL,SWGRWR,
$ SHGRWB,SCONUL,SCONUR,SCONUB,SCOMLL,SCONLR,SCONLB,
f CONL1,COML2,COML3,CONR1(20),COMR2(20),CONR3(20),
$ CNCBD1(11),CNCBD2(11),CNCED3(11),CNCBU1(11>,CNCBU2(11),
$ CNCBU3(11),XBSTY(11),CONO1(10),CON02(10),CONO3(10),
f RBSUSB,WASHL,WASHR,WASHB,ACHAXR,ACMAXB,ACMAXS,
$ AVAZRS,ASDBPS,SVOLAS,SHGRWS,SCOMUS,SCOMLS,RBSUSS,
$ RBSUSL,RBSUSR,SCONML,SCONMR,SCOMMB,SCOMMS,SHSURS,
$ WASHS.ARBAK3)
COMMON/FLAGS/AIRPLG.AXRPOL,TRICON,LAKE,RIVBR,
$ BSTU,OCEAN.SEDRIV,SBDLKB,DISPLG,CHMFLG,WATBOD
COHHON/HPARL/WVBLLd2,10),WMINL(12,10),WMTLKB,ARBALK,
$ HDBPL,WVOLL
COMMON/WPARR/WVBLR(12,10),WMINR(12,10),HMTRIV(20),
$ NR,WWIOR,WLBNR,WDEPR,WVOLR,WMTOLD,AREAR
COMMON/WPARB/HVBLB(12,10),WHINE(12,10),TIDMAX,EL,HWIDB,
$ WLBNB,WDBPB,NPTSB,ARBAB
COMMON/NPARO/WVBLO(12,10).WCINO(12,10),BO,XOCBAN,NPTSO
REAL LAKE,NO
DIMENSION AMOM2)
DATA YES/4H YBS/,ARBA/4HARBA/,NO/4H NO/
DATA AMD/1 OCT',1 NOV,' DEC1,1 JAN',' PBB',' MAR',
$' APR',1 MAY1,1 JUN',' JUL',1 AUG',' SEP1/
C
C LAKE RESULTS ARE WRITTEN WITH UNIT fl IWL, RIVER RESULTS WITH UNIT
C f IWR, ESTUARY RESULTS WITH UNIT fl IWB, t OCEAN RESULTS WITH UNIT
C • IWO. IP NO WATER BODY IS CONSIDERED, UNIT I IWL IS USED TO WRITE
C THE RESULTS.
C
IWL=14
IWR=15
IWB=16
IWO=17
IP(MON.GT.1)GO TO 100
IP(WATBOD.BQ.NO)GO TO 96
C
C
IP(LAKE.NB.YBS)GO TO 30
WRITE(IWL,10)
10 FORMAT('1',33X,'MONTHLY POLLUTANT CONCENTRATIONS AND INTERACTION T
SBRMS')
WRITE(IWL,20)
20 FORMAT('0',50X,'WATER BODY IS A LAKE')
WRITB(IWL,22)ARBALK
22 FORMAT('0',33X,'CONTAMINATED WATER (SURFACE AREA) IN M**2 = ',
S1PB10.3)
WRITB(IWL,24)ARBA1(1)
24 FORMAT(34X,'CONTAMINATED SOIL ARBA (1ST MONTH) IN M**2 = ',
S1PB10.3)
WRITB(IWL,2 5)IYR
25 FORMAT('0',56X,'YEAR ',12)
C
C
-------
187
30 IF(RIVBR.NB.YBS)GO TO 50
WRITE(IHR,10)
WRITEIYR
95 FORMAT('0',40X,'YEAR ',12)
WRITEdWO, 103)
103 FORMAT(33X,'CONCENTRATIONS (UG/M**3)')
WRITE(IWO,104)
104 FORMAT(//,19X,'WATER (NEUTRAL)',
$ 3X,'WATER (IONIC)',3X,'WATER (ADSORBED)')
GO TO 100
C
C
96 WRITE(IWL,10)
WRITE(IWL,97)
97 FORMAT('O1,46X,'NO WATER BODY IS CONSIDERED')
WRITB(IWL,24)AREA1(1)
WRITE(IWL.25)IYR
GO TO 500
100 CONTINUE
IF(WATBOD.BQ.NO)GO TO 500
C
C
IF(LAKE.NB.YES)GO TO 200
WRITB(IWL,105)AMO(MON)
105 FORMAT(1X,3X.A4)
WRITE(IWL,110)
110 FORMATC1X,1 CONCS ',3X.'MAXIMUM AIR',3X,'AVERAGE AIR',5X,
I'WAT NEUTRAL',1X,' WAT IONIC ',2Xt'WAT ADSORBED',2X,
-------
188
$'UPPER SOIL',2X,'MIDDLE SOIL',2X,'LOWER SOIL',2X,'RBSUSPENSION')
ACMAXL=ACMAXL+RESUSL
AVAIRL=AVAIRL+RESUSL
IF(AIRPLG.EQ.ARBA)GO TO 130
WRITS(IWL,120)ACMAXL,AVAZRL,CONL1,CONL2,CONL3,SCOMUL,SCONML,
$ SCONLL.RBSUSL
120 FORMATMX, • (U6/M**3) ' ,2MPB1 0 . 3 , 4X) , 2X, 1PB1 0 . 3.
$2X,6(1PB10.3,3X»
GO TO 150
1 30 WRITE(IWL,140)AVAZRL,CONL1,CONL2,CONL3,SCONUL,SCONML,SCONLL,RBSUSL
140 FORMATMX, ' ,/)
C
c
200 IF(RIVBR.NB.YBS)GO TO 300
WRITB(IWR.105)AMO(MON)
WRITBdWR, 110)
IR=1
ACMAXR=ACMAXR+RBSUSR
AVAIRR=AVAIRR+RBSUSR
IF(AIRFLG.BQ.AREA)GO TO 215
WRITBdWR, 21 0)ACMAXR,AVAIRR,IR,CONR1 ( 1 ) ,CONR2( 1 ) ,CONR3( 1 ) ,
* SCONUR,SCONMR,SCONLR,RBSUSR
210 FORMATMX, ' (UG/M**3) ' , 1X, 1PB1 0 . 3 , IX, 1PB1 0 . 3 , ' IR=' , 12, 1PB1 0 . 3 ,
$2X,6MPB10.3,3X»
GO TO 218
215 WRITBdWR, 21 7 )AVAIRR, IR.CONR1 (1 >,CONR2(1 ) ,CONR3(1 ),
$ SCONUR,SCONMR,SCONLR,RBSUSR
217 FORMATMX, ' (UG/M**3) ***********•,3X,1PE10.3.' IR=',I2,
$1PB10.3,2X,6(1PB10.3,3X))
218 IF(NR.BQ.1)GO TO 235
DO 220 IR=2,NR
220 WRITBdWR, 230 )IR,CONR1 (IR) ,CONR2(IR) ,CONR3(IR)
230 FORMATMX.36X, ' IR= ' , 12, 1PB1 0 . 3 , 2X, 2( 1PB10 . 3 , 3X»
235 CONTINUE
WRITE(IWR,160)
WRITE(IWR,170)AWDBPR,ASDBPR,WVOLAR,SVOLAR,SWSURR,
$ SWGRWR.WASHR
C
C
300 IF(BSTU.NB.YBS)GO TO 400
WRITE(IWB,105)AMO(MON)
WRITE(IWE,110)
IXBST=XBSTY(1)
ACMAXE=ACMAXB+RBSUSB
AVAIRE=AVAIRB+RBSUSE
IF(AIRFLG.BQ.ARBA)GO TO 320
WRITE (IWB,310)ACMAXB.AVAIRB,IXBST.CNCBU1(1),CNCBU2(1),CNCBU3(1),
-------
189
$ SCOMUB.SCONMB,SCONLB,RBSUSB
310 FORMAT(1X,'(UG/M**3) ',1X,1PB10.3.4X,1PB9.2,' X=',16.1PB10.3,
S6(1PB10.3,3X»
GO TO 340
320 WRITE(1KB.330>AVAXRB,XXBST,CNCBU1(1),CMCBU2(1),CNCEU3(1),
* SCOHUB,SCONMB,SCONLB,RBSUSB
330 FORMAT(1X,•(UG/M**3) **********«", 3X. 1PB9 . 2, ' X=',I6,
$1PB10.3,6(1PB10.3,3X))
340 DO 350 1=1.NPTSB
18=1+1
ZXBST=XBSTY(IB)
WRITE(IWE,360)IXBST,CNCBD1(IB),CNCBD2(IB),CNCBD3(IE)
XXBST=-XXBST
350 WRITE(IWB,360)IXBST,CNCBU1(IB),CNCBU2(IB>,CNCBU3(XB)
360 FORMAT(1X,35X,'X='.16.1PB10.3,2(1PB10.3,3X>)
WRITB(IWE,160)
WRITE(1KB,170)AWDBPB,ASDBPB,WVOLAE,SVOLAB,SWSURB,
9 SWGRWB.WASHB
C
C
400 IP(OCEAN.MB.YBS)RETURN
WRITE(IWO,405)AMO(MON)
405 PORMAT(2X,A4)
OCNPT=0.
DO 420 1=1.NPTSO
OCNPT=OCNPT+XOCBAN
420 WRITB(XHO.410)OCNPT,CONO1(I)tCONO2(I),CONO3(I)
410 FORMAT(7X,'X= ',E9.2,2X,3(1PE10.3,7X))
RETURN
C
C
500 CONTINUE
WRITE(IHL.105)AMO(MON)
WRITE(IWL,110)
ACMAXS=ACMAXS+RBSUSS
AVAIRS=AVAIRS+RBSUSS
IF(AIRPLG.EQ.ARBA)GO TO 520
WRITE(IWL,510)ACMAXS,AVAIRS,SCONUS,SCONNS,SCONLS,RBSUSS
510 FORMAT(1X,'(UG/M**3) ' , 2( 1PB1 0 . 3 , 4X) . 2( 2X, • *********'),3X,
$• *********',3X,4(1PB10.3,3X»
GO TO 540
520 WRITE(IWL,530)AVAIRS,SCONUS,SCONMS,SCONLS.RBSUSS
530 PORMATdX, ' (UG/M**3) ***********',3X.1PB10.3,6X,' *********•,
$2X,' *********',3X,' «»»*»»»»*•,3X,4(1PE10.3,3X))
540 WRITE(IWL,160)
WRITE(XWL,550)ASDBPS.SVOLAS,SWSURS,SWGRWS,WASHS
550 PORMATdX, ' (UG/MON) ***********',3X,1PB10.3,6X,' »********',
$2X,4(1PB10.3,3X),/)
RETURN
BND
-------
190
SUBROUTINE READIN
COMMON/MEDIA/AWMINR,AHMOUR,WAMOUR(20),AHMZNL,AWMOUL.
$ WAMOUL,SHHINL,SHMXNR,AWMINE,AWMOUB,SWMINE,WAMOUE,
S SAMOUL,ASHZOL,ASMIWL,SAMOUR,ASMIDR,ASMIWR,SAHOUE,
$ ASMIDE,ASMZWE,ASMOWL,ASMODL,ASMODR,ASMOWR,
$ ASMODE,ASMOWB,SWMOUL,SWMOUR,SWMOUE,CUMLKE,
$ CLMLKB.CUMRIV.CLMRIV,CUMEST,CLHEST,ASMODS,ASMOWS,
$ ASMZOS,ASMZWS,SAMOUS,CUMS,CLHS,SUMLKE,SLMLKB,CUSALK,
$ CLSALK,LZGCUL,LZGCLL,SUMRIV,SLMRZV,CUSARV,CLSARV,
$ LIGCUR,LZGCLR,SUMEST,SLMEST,CUSABS,CLSABS,LZGCUE,
$ LZGCLB,SUMS,SLMS,CUSAS,CLSAS.LIGCUS,LZGCLS,CHMLKB,
$ CMMRIV,CHHBST,CMMS.SMMLKE,SMMRIV,SHMBST,SMMS,
$ CMSALK,CMSARV,CMSABS,CMSAS,LZGCHL,LZGCMR,LIGCME,
$ LZGCMS
COMMON/FLAGS/AIRFLG,AZRPOL,TRZCON,LAKE,RZVBR,
$ BSTU,OCEAN,SBDRZV,SBDLKE,DISPLG.CHMFLG,WATBOD
COMMON/ALPHAS/AIL, A2L,A3L,A1R,A2R,A3R,A1E,A2E,A3E,
$ A10.A20.A30
COMMON/AIRPAR/QS (1 2', 1 0 ) , UW (1 2 ,1 0 ) . HMZX (12,10). CTYLTH,
$ UDG,UDP,WRATG,WRATP.AK,HS,VS,SRAD,RHO,ENTPY
COMMON/WPARL/WVBLL(12,10),WMINL(12,10),WMTLKE,ARBALK,
$ WDEPL.WVOLL
COMMON/WPARR/WVELR(12,10),WMINR(12,10),WMTRZV(20),
$ NR,WWZDR,HLBNR,WDEPR,WVOLR,WMTOLD,ARBAR
COMMON/WPARB/WVBLE(12,10),WMINE(12,10),TZDMAX,EL,WWZDE,
$ WLENE.WDEPE.NPTSE,AREAS
COMMON/CAVPAR/HEFFIV,XMAX,HMZXZ,U,VG,UDPW,DBPPAC
COMMON/SPARS/ARS,AREAS,XLBNS
COMMON/SPARL/ARL.AREASL,XSOZL
COMMON/SPARR/ARR.AREASR
COMMON/SPARE/ARE.AREASE
COMMON /AP/ GEOM(20),LOAO(6),RUNLO(6),RUNM1(10,12),RUNM2(10,12)
COMMON /HB/ HYDBALM3, 10)
COMMON/SDPARE/SEDCE(12.10),CONSDB
COMMON/SDPARO/SBDCO(12,10).CONSDO
COMMON/SDPARR/SBDCR(12,10),DZASDR,DBNSDR,DBNWR,SLOPBR,CONSDR
COMMON/SDPARL/SEDCL(12,10),OZASDT,DBNSDT,DBNWT.SLOPBT,WDEPT,CONSDL
COMMON/BQUZL/DZSK,HPLUSL,HPLUSR,HPLUSB,HPLUSO,
S SWKSWL,SWKSWR,SWKSWE,SWKSWO
COMMON/WPARO/HVBLO(12,10).HCZNO(12.10),BO,XOCBAN,NPTSO
COMMON/WRATES/WKVL. HKPL,WKOL,HKBL,WKHL,
f WKVR,HKPR,HKOR,HKBR,WKHR,
f WKVB,WKPE,WKOE,WKBE,WKHB,
$ HKVO,HKPO.WKOO,HKBO,HKHO
COMMON /EX/ JRUN,LEVEL,JRB,JSO,JCH,JNUT,JAPPL,JYRS
COMMON /TZ/ TZTLES(5,12)
DZMENSZON AMO(12)
REAL LAKE,NO,NONE
DATA AMD/' OCX',' NOV,' DEC',' JAN',' FEB',' MAR',
$' APR',• MAY',' JUN',' JUL',' AUG',' SEP'/
DATA YES/4H YBS/.NO/4H NO/,NONE/4HNONE/,AREA/4HARBA/,
$ POZNT/4HPOZN/,PART/4HPART/,GAS/4H GAS/,ACZD/4HACZD/,
$ BASB/4HBASB/
C
C ZRF UNZT • FOR PZLB READING ZN MODEL FLAGS
C
-------
191
IRP=10
C
C IRA UNIT * FOR FILE READING IN AIR PARAMETERS
C
IRA=11
C
C IRW UNIT # FOR FILE READING IN HATER PARAMETERS
C
IRW=12
C
C IWP UNIT ft FOR OUTPUT MESSAGES (ALSO, OUTPUTS INPUT DATA)
C
IWP=13
C
C IHG UNIT • FOR GENERAL OUTPUT FILE
C
IWG=13
C
READ(IRF,10) AIRFLG,AIRPOL
10 FORMAT(A4,6X,A4,6X,A4>
READ(IRF,10) LAKE,SEDLKE,TRICON
READdRF.IO) RIVER, SEDRIV
RBAD(IRF,10) ESTU.DISF-LG
READ(IRF,10) OCEAN
WATBOD=YES
IF(LAKE.EQ.NO.AND.RIVER.EQ.NO.AND.ESTU.EQ.NO.AND.OCEAN.EQ.NO >
$ WATBOD=NO
IF(WATBOD.NE.NO)READ(IRF,10)CHMFLG
WRITE(IWP,1)
1 FORMAT('1', 44X,'MODEL FLAGS THAT DETERMINE WHAT USER INPUTS')
WRITE(IWP,2)
2 FORMAT('0',26X,'OPTION CHOSEN',6X,'NAME',21X,'MEANING',/)
IF(AIRFLG.EQ.POINT)WRITE(IWP,3)
3 FORMAT(35X.'POINT',5X,'AIRFLG',5X,'SIGNIFIES AIR POINT SOURCE')
IF(AIRFLG.EQ.AREA)WRITE(IWP,4)
4 FORMATO6X, 'AREA' ,5X, 'AIRFLG' ,5X, 'SIGNIFIES AIR AREA SOURCE')
IF(AIRFLG.EQ.NONE)WRITE(IWP,5)
5 FORMAT(36X,'NONE',5X,'AIRFLG',5X,'SIGNIFIES NO AIR SOURCE')
IF(AIRPOL.EQ.GAS)WRITE(IWP,6)
6 FORMATO7X. 'GAS' ,5X, 'AIRPOL' ,5X, 'SIGNIFIES POLLUTANT IS A GAS')
IF(AIRPOL.EQ.PART)WRITE(IWP,7)
7 FORMAT(27X,'(PART)ICULATE',5X,'AIRPOL',5X,'SIGNIFIES POLLUTANT IS
$A PARTICULATB')
C
C
IF(LAKE.EQ.YES)WRITE(IWP,8)
8 FORMAT(37X,'YES1,6X,'LAKE'.6X,'SIGNIFIES THAT A LAKE IS BEING CONS
$IDERED')
IF(LAKE.BQ.NO)WRITE(IWP,9)
9 FORMATO8X.'NO' ,6X.'LAKE',6X,'SIGNIFIES THAT A LAKE IS NOT BEING C
«ONSIDERED')
IF(LAKE.EQ.NO)GO TO 25
IF(LAKE.EQ.YES)GO TO 1020
WRITE!IWP,1010)LAKE
1010 FORMATMX,'ERROR IN DATA: LAKE DOES NOT EQUAL YES OR NO, BUT = ',
$ A4)
-------
192
STOP
1020 IF(SEDLKE.EQ.YES.OR.SEDLKE.EQ.NO)GO TO 1040
WRITE(IHP,1030)SEDLKE
1030 FORMAT(IX,'ERROR IN DATA: SEDLKE DOES NOT EQUAL YES OR NO, BUT = '
$. A4)
STOP
1040 IF(TRICON.EQ.YES.OR.TRICON.EQ.NO)GO TO 1060
WRITE{IHP,1050)TRICON
1050 FORMAT(1X,'ERROR IN DATA: TRICON DOES NOT EQUAL YES OR NO, BUT = '
$, A4)
STOP
1060 CONTINUE
IF(SEDLKE.EQ.NO)GO TO 13
WRITE(IHP,11)
11 FORMAT(37X,'YES1 ,5X, 'SEDLKE1 ,5X, 'SIGNIFIES THAT SEDIMENT CONCBNTRA
$TIONS FOR THE LAKE')
WRITE(IHP,12)
12 FORMAT(57X,'ARE INPUT (SEE BELOH)')
GO TO 25
13 IF(TRICON.EQ.NO)GO TO 19
WRITE(IHP,14)
14 FORMAT<38X,'NO1,5X,'SEDLKE',5X,'SEDLKE = NO AND TRICON = YES SIGNI
SPY THAT SEDIMENT')
WRITE(IHP,16)
16 FORMAT(37X, 'YES1 ,5X, 'TRICON' ,6X,'CONCENTRATIONS FOR A TRIBUTARY FL
SOWING INTO A LAKE')
WRITE(IHP,18)
18 FORMAT(57X,'ARE INPUT (SEE BELOH)')
GO TO 25
19 WRITE(IWP,21)
21 FORMAT(38X,'NO',5X,'SEDLKE',5X,'SEDLKE = NO AND TRICON = NO SIGNIF
$Y THAT SEDIMENT')
WRITE(IHP,23)
23 FORMAT(38X,'NO',5X,'TRICON',6X,'PARAMETERS (FOR LAURSBNS FORMULA)
$FOR A TRIBUTARY')
WRITE(IWP,24)
24 FORMAT(57X,'FLOWING INTO A LAKE ARE INPUT (SEE BELOW)')
C
C
25 IF(RIVER.EQ.YES)WRITE(IWP,26)
26 FORMAT(37X,'YES1,6X,'RIVER',5X,'SIGNIFIES THAT A RIVER IS BEING CO
SNSIDERED')
IF(RIVER.EQ.NO)WRITE(IHP,27)
27 FORMAT(38X,'NO',6X,'RIVER',5X,'SIGNIFIES THAT A RIVER IS NOT BEING
$ CONSIDERED')
IF(RIVER.EQ.NO)GO TO 41
IF(RIVBR.EQ.YES)GO TO 1120
HRITE(IHP,1110)RIVER
1110 FORMAT(1X,'ERROR IN DATA: RIVER DOES NOT EQUAL YES OR NO, BUT = '
$, A4)
STOP
1120 IF(SEDRIV.EQ.YES.OR.SEDRIV.EQ.NO)GO TO 1140
HRITE(IHP,1130)SEDRIV
1130 FORMAT(IX,'ERROR IN DATA: SEDRIV DOBS NOT EQUAL YES OR NO, BUT = '
$. A4)
STOP
-------
193
1140 CONTINUE
IF
WRITE(IWP,39)
39 FORMAT(57X,'FORMULA) FOR THE RIVER ARE INPUT (SEE BELOW)')
C
C
41 IF(BSTU.EQ.YES)WRITE
IF BSTU
1210 FORMAT(IX,'ERROR IN DATA: ESTU DOBS NOT EQUAL YES OR NO, BUT = '
$ ,A4)
STOP
1220 IF(DISFLG.EQ.YES.OR.DISFLG.EQ.NO)GO TO 1240
WRITE,
53 FORMAT(37X,'YES',6X,'OCEAN*,5X,'SIGNIFIES THAT AN OCEAN IS BEING C
SONSIDERED')
IF(OCEAN.BQ.NO)WRITB(IWP,54)
54 FORMATC38X,'NO',6X,'OCEAN1,5X,'SIGNIFIES THAT AN OCEAN IS NOT BEIN
$G CONSIDERED')
IF(OCEAN.EQ.YES.OR.OCEAN.BQ.NO)GO TO 1320
WRITE{IWP,1310)OCEAN
-------
194
1310 FORMAT(1X,'ERROR IN DATA: OCEAN DOES NOT EQUAL YES OR NO, BUT = '
$,A4)
STOP
1320 CONTINUE
C
c
IF(WATBOD.EQ.NO)GO TO 57
IP(CHHFLG.EQ.ACID.OR.CHHPLG.BQ.BASB.OR.CHMFLG.EQ.NONE)GO TO 1340
WRITE(IWP,1330)CHMFLG
1330 FORMAT<1X,'ERROR IN DATA: CHMFLG DOES NOT EQUAL ACID OR BASE OR NO
$NE, BUT = ',A4)
STOP
1340 CONTINUE
IF(CHMFLG.EQ.ACID)WRITE(IWP.55)
55 FORMAT(36X,'ACID1,5X,'CHMFLG1,5X,'SIGNIFIES THAT CHEMICAL IS AN AC
SID' )
IF(CHMFLG.EQ.BASE)WRITE(IWP,56)
56 FORMAT(36X,'BASE1,5X,'CHMFLG1,5X,'SIGNIFIES THAT CHEMICAL IS A BAS
$E')
IF(CHMFLG.EQ.NONE)WRITE(IWP,58)
58 FORMAT(36X,'NONE',5X,'CHMFLG1,5X,'SIGNIFIES THAT CHEMICAL IS NEUTR
$AL' )
57 CONTINUE
C
IF(OCEAN.EQ.YES.AND.LAKE.EQ.NO.AND.RIVER.BQ.NO.AND.BSTU.BQ.NO >
$ GO TO 100
C
WRITE(IWP,15)
1 5 FORMAT('0',//,51X,'AIR COMPARTMENT PARAMETERS INPUT')
WRITE(IWP,17)
17 FORMAT('0',15X.'DEFINITION',20X,'NAME',9X.'UNIT'.6X.'VALUE(S)',/)
DO 30 IYR=1,JYRS
READ(IRA,20) (UW(MON.IYR),MON=1.6)
20 FORMAT(20X.6E10.3)
WRITE(IWP,22)IYR,(UW(MON,IYR),MON=1,6)
22 FORMAT(1 OX, 'WIND SPEED FOR MON=1 , 6 IYR=',12,3X, •UW(MON,IYR)'5X,
$'M/S',5X,6(1PB10.3,1X))
READ(IRA,20) (UW(MON.IYR),MON=7,12)
30 WRITE(IWP,31)IYR,(UH(MON,IYR),MON=7,12)
31 FORMAT(25X,'MON=7,12 IYR=',12,27X,6(1PE10.3,1X))
READ(IRA,20) UDG,WRATG,AK
WRITE(IWP,32)UDG
32 FORMAT(7X,'DRY DEPOSITION VELOCITY FOR GASES',7X,'UDG',9X,'M/S',
$5X,1PE10.3)
WRITE(IWP,33)WRATG
33 FORMAT(17X,'WASHOUT RATIO FOR GASES',6X,'WRATG',8X,'(-)',5X,
S1PE10.3)
WRITE(IWP,34)AK
34 FORMAT(11X, 'AIR CHEMICAL DEGRADATION RATE',7X, 'AK' ,9X,'S**-1 ' , 4X,
S1PE10.3)
IF(AIRFLG.BQ.NONE) GO TO 100
DO 35 IYR=1,JYRS
READ(IRA,20) (QS(MON.IYR),MON=1,6)
WRITE(IWP,36)IYR,(QS(MON,IYR),MON=1,6)
36 FORMAT(2X,'AIR POLLUTANT RATE FOR MON=1, 6 IYR=',I2,3X,
*'QS(MON,IYR>',5X,'KG/S',4X,6(1PE10.3,1X))
-------
195
READ(IRA,20) (QS(MON,IYR),MON=7,12)
35 WRITE(IWP,31)IYR,(QS(MON.IYR),MON=7,12)
ZF(AZRFLG.BQ.ARBA) GO TO 70
IF(AIRFLG.EQ.POINT) GO TO 50
WRITE(IWP,40) AZRFLG
40 FORMAT(1X,'ERROR IN DATA: AZRFLG DOBS NOT EQUAL NONE,AREA, OR POZN
$T, BUT = ',A4)
STOP
50 DO 60 IYR=1,JYRS
READ(IRA,20) (HMIX(MON,IYR),MON=1,6)
WRITE(IWP,52)IYR,(HMIXCMON,ZYR),MON=1,6)
52 FORMAT(7X.'MIXING HBZGHT FOR MON=1, 6 IYR=',12,2X,'HMIXCMON,IYR)',
$5X,'M',6X,6(1PE10.3;1X))
READ(IRA,20) (HMIXCMON,ZYR),MON=7,12)
60 WRITE(IWP,31)IYR,(HMIX(MON,IYR),MON=7,12)
READ(ZRA,20) HS,VG,VS,SRAD.RHO,ENTPY
WRITE(IWP,61)HS
61 FORMAT(2BX,'STACK HEIGHT',7X,'HS',11X,'M1,6X,1PB10.3)
WRITE(IWP,62)VG -
62 FORMAT(9X, 'GRAVITATIONAL SETTLZNG VELOCITY',7X,'VG',1 OX, 'M/S',
$5X,1PB10.3)
WRITE(IWP,63)VS
63 FORMAT(17X,'STACK GAS EXZT VELOCITY',7X,'VS',1 OX,'M/S',5X,1PE10.3)
WRITE(IWP,64)SRAD
64 FORMAT(2BX, 'STACK RADIUS',6X,'SRAD',1 OX,'M' ,6X,1PB10.3)
WRITE(IWP,65)RHO
65 FORMAT(23X,'STACK GAS DENSITY',7X,'RHO1,8X,'KG/M**3',2X,1PB10.3)
WRITE(ZWP,66)BNTPY
66 FORMAT(19X,'ENTHALPY OF STACK GAS',6X,'ENTPY',8X,'J/KG',«X,
S1PE10.3)
GO TO 80
C
70 READ(ZRA,20) CTYLTH
WRITE(IWP,75)CTYLTH
75 FORMAT(12X,'LENGTH OF CITY OR URBAN AREA',5X,'CTYLTH',9X,'M1,
$6X,1PE10.3)
C
80 ZF(AZRPOL.BQ.PART) GO TO 90
ZF(AZRPOL.BQ.GAS) GO TO 100
WRITE(IWP,85) AZRPOL
85 FORMAT(IX,'ERROR ZN DATA: AZRPOL DOBS NOT EQUAL GAS OR PARTZCULATB
$, BUT = ',A4)
STOP
90 READ(ZRA,20) UDP.WRATP
WRITE(IWP,92)UDP
92 FORMAT(2X,'DRY DEPOSZTZON VELOCITY (PARTICULATBS)',7X,'UDP',9X,
S'M/S',5X,1PE10.3)
WRZTB(ZWP,94)WRATP
94 FORMAT(1 OX, 'WASHOUT RATZO FOR PARTICULATBS',6X, 'WRATP',8X,'(-)',
$5X,1PE10.3)
C
100 CONTZNUB
C
IF(WATBOD.NE.NO)GO TO 99
ZF(AZRFLG.NB.POINT)GO TO 98
READ(ZRA,20)XLENS
-------
196
WRITE(IWP,96)XLENS
96 FORMAT(2X, 'LENGTH OF PLUMB CONSIDERED (OVER SOIL)' ,6X, 'XLENS ' , 9X, '
$M',6X,1PB10.3)
98 WRITB(IWP,97)
97 FORMAT('0',//,36X,'NO HATER BODY IS CONSIDERED - SOIL AND AIR INTE
SRACTION ONLY* >
GO TO 300
C
99 WRITE(IWP,101)
101 FORMAT( '0' ,//,5 OX. 'WATER COMPARTMENT PARAMETERS INPUT' )
WRITE(IWP,17)
READ(IRW,20) DISK
WRITE(IWP,107JDISK
107 FORMAT(19X,'DISSOCIATION CONSTANT',6X,'DISK',7X,'MOLES/L',3X,
S1PE10.3)
C
C
IF(LAKE.NB.YES) GO TO 150
WRITE(IWP,113)
113 FORMAT('0','LAKE :',/)
DO 110 IYR=1,JYRS
RBAD(IRW,20) (WMINL(MON,IYR),MON=1,6)
WRITE(IWP,114)1YR,(WMINL(MON,IYR>,MON=1,6)
114 FORMAT<5X,'LAKE POLLUTANT RATE MON=1, 6 IYR=',12,2X,'WMINL(MON.IYR
$) ' , 3X, 'KG/S' ,
WVOLL=ARBALK*WDEPL
WRITE(IWP,129)HPLUSL
129 FORMAT(36X,'[H+]',5X,'HPLUSL',7X,'MOLBS/L',2X.1PB10.3)
READ(IRW,2 0) WKPL,WKHL,WKOL,WKBL,WKVL,SWKSWL
WRITE(IWP,102)WKPL
102 FORMAT<8X,'PHOTOLYSIS RATE CONSTANT (WATER)',6X,'WKPL',8X,'S**-1',
S4X.1PB10.3)
WRITE(IWP,103)WKHL
103 FORMAT(8X,'HYDROLYSIS RATE CONSTANT (WATER)',6X,'WKHL',8X,'S**-1',
S4X.1PE10.3)
WRITE(IWP,10 4)WKOL
104 FORMAT<9X,'OXIDATION RATE CONSTANT (WATER)',6X,'WKOL',8X,'S**-1',
$4X,1PE10.3)
-------
197
HRITE(IWP,105)HKBL
105 FORMAT(4X,'BIODBGRADATION RATE CONSTANT (WATER)',6X,'WKBL',8X,
$'S**-1'.4X.1PE10.3)
WRITE(IWP,106)WKVL
106 FORMAT(4X,'VOLATILIZATION RATE CONSTANT (WATER)',6X,'WKVL',8X,
$'S**-1'.4X.1PB10.3)
WRITE(IWP,112)SWKSWL
112 FORMAT(8X,'SOIL-WATER PARTITION COEFFICIENT',5X,'SWKSWL'.4X,
S'HOL/KG/MOL/L',1PE10.3)
C
IF(SEDLKE.BQ.YBS) GO TO 130
IF(TRICON.EQ.YES) GO TO 130
C
C HERE SBDLKE AND TRICON BOTH EQUAL NO SO MUST INPUT SEDIMENT
C PARAMETERS FOR TRIBUTARY FLOWING INTO LAKE.
C
READ(IRW.20) DIASDT,DBNSDT,DBNWT,WDBPT,SLOPBT
WRITE(IWP,124)DIASDT
124 FORMAT(3X,'MEDIAN SEDIMENT DIAMETER IN TRIBUTARY',5X,'DIASDT',9X,
$'MM',5X,1PB10.3>
WRITE(IWP,125)DENSDT
125 FORMATM1X.'SEDIMENT DENSITY IN TRIBUTARY',5X,'DENSDT',7X.'G/CM**3
$'.2X.1PE10.3)
WRITE(IWP,126)DENWT
126 FORMAT(14X,'WATER DENSITY IN TRIBUTARY',6X,'DBNWT',7X,'G/CM**3',
$2X,1PE10.3)
WRITE(IWP.127)WDEPT
127 FORMAT(22X,'DEPTH OF TRIBUTARY ',5X,'WDBPT',9X,'M',6X,1PE10.3)
WRITE(IWP,128)SLOPET
128 FORMAT(22X,'SLOPE OF TRIBUTARY ',4X,'SLOPBT',8X,'(-)',5X,1PB10.3)
GO TO 150
130 DO 140 IYR=1,JYRS
READ(IRW,20) (SEDCL(MON,IYR),MON=1,6)
IF(SBDLKB.BQ.YES)WRITB(IWP,132>IYR,
DO 160 IYR=1,JYRS
READ(IRW,20) (WMINR(MON,IYR),MON=1,6)
WRITE(IWP,154)IYR,(WMINR(MON,IYR),MON=1,6)
154 FORMAT(4X,'RIVER POLLUTANT RATE MON=1, 6 IYR=',12.2X.'WMINR(MON,IY
$R>',3X,'KG/S1,4X,6(1PB10.3,1X))
READ(IRW,20) (WMINR(MON,IYR),MON=7,12)
160 WRITE(IWP,31)IYR,(WMINR(MON,IYR),MON=7,12)
DO 170 IYR=1,JYRS
READ(IRW,20) (WVELR(MON,IYR),MON=1,6)
WRITE(IWP,162)IYR,(WVELR(MON,IYR),MON=1,6)
-------
198
162 FORMAT(ax,'RIVER WATER VELOCITY MON=1, 6 IYR=',12,2X,'WVBLRCMON,IY
$R)',3X,'M/S',5X,6(1PE10.3,1X))
RBAD(IRW,20) (WVELR(MON,IYR),HON=7,12)
170 WRITE(IWP,31)IYR,(WVELRCMON,IYR),MON=7,12)
RBAD(IRW,180) NR
180 FORMAT(28X,12)
WRITE(IWP,182)NR
182 FORMAT(23X,'NUMBER OF REACHES',7X,'NR'.1 OX,'(-)',12X,13)
READ(IRH,20) WLENR,WWIDR,WDEPR,HPLUSR
WRITE(IWP,181)HLENR
181 FORMAT(19X,'LENGTH OF RIVER REACH',6X,'WLBNR',9X,'M',6X,1PE10.3)
WRITE(IWP,188)WWIDR
188 FORMAT(2OX,'WIDTH OF RIVER REACH',6X,'WWIDR',9X,'M',6X,1PE10.3)
WRITE(IWP,183)WDEPR
183 FORMAT(2OX.'DEPTH OF RIVER REACH',6X,'WDEPR',9X,'M1,6X,1PB10.3)
WVOLR=WLENR*WWIDR*WDEPR
WRITE(IWP,189)HPLUSR
189 FORMAT(36X,'[H+]',5X,'HPLUSR',7X,'MOLBS/L',2X,1PE10.3)
READ(IRW,20) WXPR.WKHR,WKOR,WKBR,WKVR.SWKSWR
WRITE(IWP,191)WKPR
191 FORMAT(8X,'PHOTOLYSIS RATE CONSTANT
WRITE(IWP,193)WKHR
193 FORMAT(8X, 'HYDROLYSIS RATE CONSTANT (WATER)',6X,' WKHR',8X,'S**-1 ',
$4X,1PB10.3>
WRITE(IWP,194)WKOR
194 FORMAT<9X.'OXIDATION RATE CONSTANT ',6X,'WKOR',8X,'S**-1',
S4X.1PE10.3)
WRITE(IWP,196)WKBR
196 FORMAT(4X,'BIODEGRADATION RATE CONSTANT (WATER>',6X,'WKBR',8X,
$'S**-1',4X,1PB10.3)
WRITE(IWP,197)WKVR
197 FORMAT(4X,'VOLATILIZATION RATE CONSTANT (WATER)',6X,'WKVR',8X,
$'S**-1',4X,1PB10.3)
WRITE(IWP,198)SWKSWR
198 FORMAT<8X,'SOIL-WATER PARTITION COEFFICIENT'.5X,'SWKSWR',OX,
$'MOL/KG/MOL/L',1PE10.3)
IF(SEDRIV.EQ.YBS) GO TO 190
READ(IRW,20) DIASDR,DENSDR,DBNWR,SLOPBR
WRITE(IWP,184)DIASDR
184 FORMAT<7X,'MEDIAN SEDIMENT DIAMETER IN RIVER',5X,'DIASDR',9X,'MM',
$5X,1PE10.3)
WRITE(IWP,185)DBNSDR
185 FORMAT(15X,'SEDIMENT DENSITY IN RIVER',5X,'DBNSDR',7X,'G/CM**3',
$2X,1PE10.3)
WRITE(IWP,186)DENWR
186 FORMAT(18X.'WATER DENSITY IN RIVER',6X,'DENWR',7X,'G/CM**3',2X,
$1PE10.3)
WRITE(IWP,187)SLOPBR
187 FORMAT(26X,'SLOPE OF RIVER',5X,'SLOPBR',8X,'(->',5X,1PE10.3)
GO TO 200
190 DO 195 IYR=1,JYRS
READ(IRW,20) (SBDCR(MON.IYR),MON=1,6)
WRITE(IWP,192)IYR,(SBDCR(MON,IYR),MON=1,6)
192 FORMAT<2X,'SEDIMENT CONC. (RIVER) MON=1, 6 IYR=',I2,2X,
$'SBDCR(MON,IYR)',2X,'KG/M**3',2X,6(1PB10.3))
-------
199
READ(IRH,20) (SEDCR(HON,IYR),HON=7,12)
195 WRITE(IWP,31)IYR,(SEDCR(HON,IYR),MON=7,12)
C
c
200 XF(BSTU.NE.YBS) GO TO 250
WRITE(IWP,202)
202 FORMAT('0','ESTUARY :',/)
DO 210 IYR=1,JYRS
REAO(IRW,20) (WHINE(HON,IYR),MON=1,6)
WRITE(IWP,204)IYR,(WHINE(HON,IYR>,HON=1,6)
204 FORMAT<2X,'ESTUARY POLLUTANT RATE HON=1, 6 IYR=',12,2X,'WHINE(MON,
$IYR)',3X,'KG/S',
READ(IRW,20) (WHINE(HON,IYR),HON=7,12)
210 WRITE(IWP,31)IYR,(WHINE(HON,IYR),HON=7,12)
DO 220 IYR=1,JYRS
READ(IRW,20) (WVELE(MON,IYR),MON=1,6)
WRITE(IWP,212)IYR,(WVELE(HON.IYR),HON=1,6)
212 FORHATUX, 'FRESH WATER VELOCITY MON=1, 6 IYR=',12,2X,'WVELE(HON,IY
$R>',3X,'H/S1,5X,6(1PE10.3.1X))
RBAD(IRW,20) (WVELE(HON,IYR),HON=7,12)
220 WRITE(IWP,31)IYR,(WVELE(HON,IYR),HON=7,12)
READ(IRW,180) NPTSE
WRITE(IWP,222)NPTSE
222 FORHATdX,'* PTS UP & DOWNSTREAH OF SOURCE(OUTPUT)', 6X,'NPTSE',
$8X,'(-)'.12X.I3)
READ(IRW,20) WLBNE,WWIDE,WDEPE,EL.TIDHAX,HPLUSE
WRITE(IWP,2231WLENB
223 FORMAT(23X,'LENGTH OF ESTUARY',6X,'WLBNE',9X,'H',6X,1PE10.3)
WRITE(IWP,224)WWIDE
224 FORMAT<2«X,'WIDTH OF ESTUARY',6X,'WWIDB',9X.'H1,6X,1PB10.3)
WRITE(IWP,225)WDEPE
225 FORHAT(24X,'DEPTH OF ESTUARY',6X,'WDEPE',9X,'H1,6X,1PE10.3)
IF ( DISFLG. EQ . YES ) WRITE(IWP, 226 ) EL
226 FORMAT(5X,'LONGITUDINAL DISPERSION COEFFICIENT',7X,'EL',9X,
$'H**2/S',3X,1PE10.3)
IF(DISFLG.EQ.NO)WRITE(IWP,227)TIDHAX
227 FORMAT(18X,'HAXIHUH TIDAL VELOCITY',5X,'TIDHAX',8X,'H/S',5X,
S1PE10.3)
WRITE(IWP,229)HPLUSE
229 FORMAT(36X,'(H+]',5X,'HPLUSE1,7X,'HOLES/L',2X,1PB10.3)
READ(IRW,20) WKPB,WKHE,WKOE.WKBB,WKVE,SWKSWB
WRITE(IWP,231)WKPE
231 FORMAT(8X,'PHOTOLYSIS RATE CONSTANT (WATER)',6X,'WKPB1,8X,'S**-1',
S4X.1PB10.3)
WRITE(IWP,232)WKHE
232 FORMAT<8X.'HYDROLYSIS RATE CONSTANT (WATER)',6X,'WKHB',8X,'S**-1',
$4X,1PB10.3)
WRITE(IWP,233)WKOB
233 FORMAT(9X,'OXIDATION RATE CONSTANT (WATER)',6X,'WKOB',8X,'S**-1',
S4X.1PE10.3)
WRITE(IWP,234 JWKBE
234 FORMAT(HX,'BIODEGRADATION RATE CONSTANT (WATER)',6X,'WKBB',8X,
$'S**-1',4X,1PB10.3)
WRITE(IWP.235)WKVE
235 FORMAT(4X,'VOLATILIZATION RATE CONSTANT (WATER)',6X,'WKVE',8X,
$'S**-1',4X,1PE10.3)
-------
200
WRITE(ZWP,236)SWKSWE
236 FORMAT<8X,'SOIL-WATER PARTITION COEFFICIENT',5X,'SWKSWB',«X,
S'MOL/KG/MOL/L',1PE10.3)
C
DO 230 IYR=1,JYRS
READ(IRW,20) (SEDGE(MON,IYR),MON=1,6)
WRITE(IWP.228)IYR,tSEDCE(MON,IYR),MON=1,6)
228 FORMAT(1X,'SEDIMENT CONC.(ESTUARY) MON=1, 6 IYR=',12,2X,'SEDGE(MON
$,IYR)',2X,'KG/H**3',2X,6(1PE10.3.1X))
READ(IRW,20) (SEDCE(MON,IYR),MON=7,12)
230 WRITE(IWP,31)IYR.
WRITE(IWP,291)WKHO
291 FORMAT(8X,'HYDROLYSIS RATE CONSTANT (WATER)',6X,'WKHO',8X.'S**-1',
$4X,1PB10.3)
WRITE(IWP,292)WKOO
292 FORMAT(9X,'OXIDATION RATE CONSTANT (WATER)',6X,'WKOO',8X,'S**-1',
$4X,1PB10.3>
WRITE(IWP,293)WKBO
293 FORMAT(UX,'BIODEGRADATION RATE CONSTANT (WATER)',6X,'WKBO',8X,
$'S**-1',4X,1PB10.3>
WRITE(IWP,294)WKVO
294 FORMAT(4X,'VOLATILIZATION RATE CONSTANT (WATER)',6X,'WKVO', 8X,
$'S**-1',4X,1PE10.3)
WRITE(IWP,295)SWKSWO
295 FORMAT(8X,'SOIL-WATER PARTITION COEFFICIENT',5X,'SWKSWO',4X,
-------
201
$'MOL/KG/MOL/L',1PB10.3)
READ(IRW,180)NPTSO
WRITE(IWP,279)NPTSO
279 FORMAT(3X,'NUMBER OF POINTS FROM SOURCE (OUTPUT)',6X,'NPTSO',8X,'(
$-)'.12X.I3)
C
DO 280 IYR=1 , JYRS
READ(IRW,20) ( SEDCO(MON.IYR),MON=1,6)
WRITE(IWP,282)IYR,(SEDCO(MON,IYR),MON=1,6)
282 FORMAT(2X,'SEDIMENT CONC. (OCEAN) MON=1, 6 IYR=',12,2X,'SEDCO(MON,
$IYR)',2X.'KG/M**3',2X,6(1PE10.3,1X))
READ(IRH.20) (SEDCO(MON,IYR),MON=7,12)
280 WRITE(IWP,31)IYR,(SBDCO(MON,IYR),MON=7,12)
C
999 CONTINUE
300 CONTINUE
WRITE(IWG,310)
310 FORMAT('1•,61X.'SCENARIO',//)
WRITE(IWG,320)
320 FORMAT('0',54X,'TYPE OF SOURCE TERMS',/)
C
IF(AIRFLG.EQ.POINT)WRITE(IWG,330)
330 FORMAT(1X,57X,'AIR - POINT',//)
IF(AIRFLG.BQ.AREA)WRITE(IWG,340)
340 FORMATC1X.57X,'AIR -AREA',//)
IF(AIRFLG.EQ.NONE)WRITE(IWG,350)
350 FORMAT(1X,57X,'AIR -NONE',//)
C
WRITE(IWG,360)
360 FORMATMX,57X,'WATER BODY(IBS) CONSIDERED:')
IF(WATBOD.EQ.NO)WRITE(IWG,361)
361 FORMAT(69X,'- NONE')
IF(WATBOD.EQ.NO)GO TO 420
C
C
IF(LAKE.NE.YES)GO TO 385
DO 365 IYR=1,JYRS
DO 365 MON=1,12
365 IF(WMINL(MON,IYR).NE.O.O)GO TO 375
WRITE(IWG,370)
370 FORMAT(1X.68X,'- LAKE (NO SOURCE)')
GO TO 385
375 ILAKE=1
WRITE(IWG,380)
380 FORMAT(1X.68X,'- LAKE (HAS SOURCE)')
C
C
385 IF(RIVER.NB.YBS)GO TO 400
DO 390 IYR=1,JYRS
DO 390 MON=1.12
390 IF(WMINR(MON,IYR).NE.O.O)GO TO 395
WRITE(IWG,392)
392 FORMAT(1X.68X,'- RIVER (NO SOURCE)')
GO TO 400
395 IRIV=1
WRITE(IWG,397)
-------
202
397 FORMAT(1X,68X,'- RIVER (HAS SOURCE)1)
C
c
400 IF(BSTU.NB.YBS)GO TO 415
DO 405 IYR=1.JYRS
DO 405 HON=1,12
405 IF(WMZNE(MON,IYR).NE.O.O)GO TO 410
HRXTE(XHG,407)
407 FORMAT(1X.68X,'- ESTUARY (NO SOURCE)1)
GO TO 415
410 XEST=1
WRXTE(XWG,412)
412 FORMAT(1X,68X,'- ESTUARY (HAS SOURCE)')
C
C
415 IF(OCEAN.NB.YES)GO TO 420
DO 416 IYR=1,JYRS
DO 416 HON=1,12
416 IF(WCINO(MON,IYR).NB.O.O)GO TO 418
HRITB(XHG,417)
417 FORMAT(1X.68X.'- OCEAN (NO SOURCE)1)
GO TO 420
418 IOCN=1
HRITE(XHG,419)
419 FORMAT(1X,68X,'- OCEAN (HAS SOURCE)')
C
420 DO 422 MON=1,12
422 IF(RUNM1(4.MON).NE.O.O)GO TO 430
WRITE(IWG,425)
425 FORMAT('0',57X,'UPPER SOXL - NONE')
GO TO 450
430 XUPSL=1
HRXTB(XWG,440)
440 FORMAT('0',57X,'UPPER SOXL - DIRECT APPLICATION'>
450 DO 452 MON=1,12
452 IF(RUNM1(5.MON).NE.O.O)GO TO 456
WRITB(IWG,454)
454 FORMAT(58X,'MIDDLE SOIL - NONE')
GO TO 458
456 IMSL=1
WRITB(XHG,457)
457 FORMAT(58X,'MIDDLE SOXL - DIRECT APPLICATION')
458 DO 460 MON=1,12
460 IF(RUMM1(6,MON).NB.0.0)60 TO 480
WRITB(IHG,470)
470 FORMAT(58X.'LOWER SOIL - NONE')
GO TO 500
480 ILSL=1
WRITB(IWG,490)
490 FORMAT(58X,'LOWER SOIL - DIRECT APPLICATION')
C
500 WRITE(IWG,510)(TITLES(1,IR),IR=1,12)
510 FORMAT('0',//,55X,'GEOGRAPHIC REGION - ',12A4,//)
WRITE(IWG,520)
520 FORMAT('0',54X,'MAGNITUDE OF SOURCE(S)',/)
WRITB(IWG,530)(AMO(X),X=1,12)
-------
203
530 FORMAT(1X,6X,12(6X.A4>,/>
IF(AZRFLG.BQ.NONB)GO TO 580
WRITE(IWG,540)
540 FORMAT(3X,'AIR')
WRITE(IWG,550)
550 FORMAT(1X,'(KG/SBC)')
DO 560 IYR=1,JYRS
560 WRITE(IWG,570)IYR,(QS(MON,IYR),MON=1,12)
570 FORMAT(2X,'YEAR ',12,2X,12(1PB9.2,IX))
580 IFdLAKE.NB. 1 )GO TO 620
WRITE(IWG,590)
590 FORMAT(/,2X,'LAKE')
WRITBdWG.SSO)
DO 610 IYR=1,JYRS
610 WRITE(IWG,570)IYR,(WMINL(MON,IYR),MON=1,12)
620 IFdRIV.NE. 1 )GO TO 650
WRITE(IWG,630)
630 FORMAT(/,IX,'RIVER')
WRITE(IWG,550)
DO 640 IYR=1,JYRS
640 WRITE(IWG,570)IYR,(WMINR(MON,IYR),HON=1,12)
650 IFdEST.NE. 1 )GO TO 680
WRITB(IWG,660)
660 FORMAT(/,1X,'ESTUARY1)
WRITBdWG.SSO)
DO 670 IYR=1,JYRS
670 WRITE(IWG,570)IYR,(WHINE(MON,IYR),MON=1,12)
680 IFdOCN.NE.1 )GO TO 720
WRITE(IWG,690)
690 FORMAT(/,1X,'OCEAN1)
WRITE(IWG,700)
700 FORMATMX, ' (KG/M**3) ' )
DO 710 IYR=1,JYRS
710 WRITE(IWG,570)IYR,(WCINO(MON,IYR),MON=1,12)
720 CONTINUE
IFdUPSL.NE. 1 )GO TO 750
WRITE(IWG,730)
730 FORMAT(/,1X,'UPPER SOIL')
WRITE(IWG,740)
740 FORMAT(1X,'(UG/MON)')
IYR=1
WRITE(IWG,570)IYR,(RUNM1(4,MON),MON=1,12)
750 IFdMSL.NE. 1 )GO TO 758
WRITE(IWG,752)
752 FORMAT(/,1X,"MIDDLE SOIL1)
WRITE(IWG,740)
IYR=1
WRITE(IWG.570)IYR,(RUNM1(5,MON),MON=1,12)
758 IF(ILSL.NE.1)RETURN
WRITE(IWG,760)
760 FORMAT
-------
204
SUBROUTINE SEDCON(ZHON,ZYR)
COMMON/FLAGS/AZRFLG,AZRPOL,TRZCOM,LAKE,RZVER,
$ ESTU,OCEAN,SBDRZV,SEDLKB,DZSFLG,CHMFLG,WATBOD
COMMON/WPARL/WVBLL(12,10),HMZNL(12,10),HHTLKB,AREALK,
$ WDBPL.WVOLL
COMMON/WPARR/WVELR(12,10),HMZNR(12,10),HMTRZV(20),
$ NR.WWZDR,WLBNR,WDBPR,WVOLR,WMTOLD,ARBAR
COMMON/SDPARR/SBDCR(12,10),DZASDR,DBNSDR,DBNWR,SLOPBR,CONSOR
COMMON/SDPARL/SBDCL(12,10),DZASDT,DBNSDT,DENNT,SLOPBT,WDBPT,CONSDL
REAL LAKE,NO
DIMENSION VDQ(20),PDAT(20>,BP(20),CP(20),DP(20)
C
C VDQ. PDAT, BP, CP, DP NEEDED FOR COMPUTING TRAPPING EFFICIENCY P FOR LAKES
C
DATA VDQ/.002,.003,.005..007,.01,.02,.03,.05,.07,.1,.2,
$ .3,.5,.7,1.,2.,3.,5.,7.,10./
DATA PDAT/.02,.14,.27,.355,.448,.60,.690,.775,.825..865, .925,
t .945,.965,.975,.980,.990,.990,.990,.990,.990/
DATA BP/146.8928,95.64891,47.32103,37.56698,25.43354,
9.952678,7.355743,2.710186,2.053512,.9171595,.339577,
.1245326,.07365036,.03086593,.01019481,.005425183,
-.001895546,.0005229092,-.0001960909,.0001960909/
DATA CP/-29434.42,-21809.42,-2354.518,-2522.503,-1521.977,
-26.10996,-233.5836,1.305765,-34.13947,-3.73896,-2.036866,
-.11 3578,-.1408333,-.0730889, . 0041 851 88,-'.00895482,
.001634091,-.0004248637,.00006536365,.00006536365/
DATA DP/2541667.,3242484.,-27997.51,111169.6,49862.22,
-6915.788,3914.823,-590.7538,337.7834,5.673646,
6.410959,-.04542552,.1129073,.0858601,-.004380003,.003529637,
-.0003431592..00008170456,0.,0./
DATA NO/4H NO/.IHP/13/
MON=IMON
IP(SEDRIV.NB.NO.OR.RIVER.BQ.NO)GO TO 200
10 IF(MON.GT.1.OR.IYR.GT.1)GO TO 100
C
C THE FOLLOWING COMPUTES THE SEDIMENT CONCENTRATION FOR A
C RIVER OR STREAM. 1ST, COMPUTE LAURSBNS FUNCTION.
C
CALL FUNLAU(DIASDR,DBNSDR,DBNWR,WDBPR,SLOPER,
$ TCRITR,FUNCR,TOPFCR,RATIOR)
100 TOPRIM=TOPFCR*(WVBLR(MON,IYR)**2)
IF((TOPRIM/TCRITR).GT.1.0)GO TO 150
WRITE(IWP,125)
125 FORMATMX,'STOP IN SBDCON (IN RIVER CALCULATION): TOPRIM/TCRITR I
$S < 1.0 CAUSING SEDIMENT CONCENTRATION TO BE NEGATIVE. USSR SHOULD
$ CHECK INPUT DATA FOR ERRORS. IF NO ERRORS, USER SHOULD SET SBDRIV
$ TO YES AND INPUT EMPIRICAL (GENERIC) DATA (PARAMETER SBDCR(MON,IY
$R))')
STOP
C
C HERB CONSDR IS SEDIMENT CONCENTRATION (X BY WEIGHT) (LAURSENS FORMULA)
C
150 CONSDR=RATIOR*((TOPRIM/TCRITR)-1.0>*FUNCR
C
C CALCULATE CONSDR IN KG/M**3
C
-------
205
CONSDR=CONSDR/((CONSDR/DENSDR)+{(100.0-CONSDR)/DBNWR)>
C
c
C THE FOLLOWING COMPUTES THE SEDIMENT CONCENTRATION FOR A LAKE.
C
200 CONTINUE
IF(SBDLKB.NE.NO.OR.LAKE.EQ.NO)RETURN
IF(TRICON.BQ.NO)GO TO 225
C
C HERB, CONSDL IS SEDIMENT CONCENTRATION FOR TRIBUTARY FLOWING INTO
C A LAKE.
C
CONSDL=SEDCL(MON,IYR)
GO TO 245
225 IFCMON.GT.1.OR.IYR.GT.1)GO TO 230
C
C CALCULATE SEDIMENT CONCENTRATION FOR TRIBUTARY FLOWING INTO LAKE.
C 1ST, COMPUTE LAURSEN'S FUNCTION USING TRIBUTARY PARAMETERS.
C
CALL FUNLAU(DIASDT,DENSDT,DBNWT,WDBPT,SLOPBT,TCRITT.FUNCT,
$ TOPFCT.RATIOT)
230 TOPRIM=TOPFCT*(WVELL(MON,IYR)**2>
IF((TOPRIM/TCRITT).GT.1.0)GO TO 240
WRITB(IWP,235)
235 FORMATMX,'STOP IN SEDCON (IN LAKE CALCULATION): TOPRIM/TCRIT IS
* < 1.0 CAUSING SEDIMENT CONCENTRATION TO BE NEGATIVE. USER SHOULD
SCHECK INPUT DATA FOR ERRORS. IF NO ERRORS, USER SHOULD SET SBDLKB
STO YES AND INPUT EMPIRICAL (GENERIC) DATA (PARAMETER SBDCL(MON,IYR
$) ) ' )
STOP
C
C HERE CONSDL IS SEDIMENT CONCENTRATION (X BY WEIGHT). (LAURSBNS FORMULA)
C
240 CONSDL=RATIOT*((TOPRIM/TCRITT)-1.0)*PUNCT
C
C CALCULATE CONSDL IN KG/M**3
C
CONSDL=CONSDL/((CONSDL/DBNSDT)+((100.0-CONSDL)/DBNWT))
245 CONTINUE
C
C HERE, NEED MEAN TRIBUTARY FLOW VELOCITY (MONTHLY) AND LENGTH OF
C LAKE TO COMPUTE VOLUME OF LAKE/FLOW RATE (IN S)
C
250 VOLFLO=SQRT(ARBALK)/WVBLL(MON,IYR)
C
C CONVERT VOLFLO TO YEARS
C
VOLFLO=VOLFLO/3.1536B+7
IFCVOLPLO.LT..002.OR.VOLFLO.GT.10.0)GO TO 300
C
C CALCULATE TRAPPING EFFICIENCY P USING SPLINE
C
P=SPLBVA(20,VOLFLO,VDQ,PDAT.BP,CP,DP)
GO TO 400
300 IF(VOLFLO.LT..002)P=0.0
IF(VOLFLO.GT.10.0)P=.99
-------
206
C
C COMPUTE SEDIMENT CONCENTRATION IN LAKE CONSDL IN KG/M**3,
C
400 CONSDL=CONSDL*(1.0-P)
RETURN
END
-------
207
FUNCTION SPLEVA,B(NPTS),C(NPTS>,D(NPTS)
DATA I/1/
C
C THIS SUBROUTINE EVALUATES A CUBIC SPLINE FUNCTION USING
C HORNBR'S RULE.
C
C NPTS=» OF DATA POINTS
C U=ABSCISSA AT WHICH SPLINE IS TO BE EVALUATED
C X,Y=ARRAYS OF DATA ABSCISSAA I ORDINATBS
C B.C,D=ARRAYS OF SPLINE COEFFICIENTS
C
IF(I.GE.NPTS)I=1
IF(U.LT.X(I»GO TO 10
IF(U.LB.X(I+1 »GO TO 30
10 1=1
J=NPTS+1
20 K=(I+J)/2
IF(U.LT.X(K»J=K
IF(U.GB.X(K»I=K
IFCJ.GT.I+1>GO TO 20
C
C EVALUATE SPLINE
C
30 DX=U-X(I)
SPLEVA=Y (I) +DX* (BCD +DX* (C (I ) +DX*D ( I ) ) )
RETURN
END
-------
c
c
208
SUBROUTINE WATER(ZMON,IYR.DT,ISTEP,NSTBPS)
COMMOM/MBDZA/AHHZNR,AWHOUR,WAMOUR(20),AWHIML,AHHOUL,
WAMOUL,SHMZNL,SHHZNR,AWMZNB,AWMOUB,SWMZNB,WAMOUB,
SAMOUL,ASMIDL,ASHZWL,SAMOUR,ASMIDR,ASMZWR,SAMOUB,
ASMZDB,ASMZWB,ASMOWL,ASHODL,ASMODR,ASHOHR,
ASMODB,ASMONB,SHMOUL,SHMOUR,SWMOUB,CUHLKB,
CLHLKB,CUMRZV,CLMRZV,CUHBST,CLMBST,ASHODS,ASMOWS,
ASMIDS,ASMZHS,SAMOUS,GUMS,CLMS,SUHLKB,SLMLKB,CUSALK,
CLSALK,LZGCUL,LIGCLL,SUHRZV,SLMRZV,CUSARV,CLSARV,
LIGCUR,LZGCLR,SUMBST,SLHBST,CUSABS,CLSABS,LZGCUB,
LZGCLB,SUMS.SLMS,CUSAS,CLSAS,LZGCUS,LZGCLS,CMMLKB,
CMMRZV,CMMBST,CMMS,SMMLKB,SMMRZV,SMMBST,SMMS,
CMSALK.CMSARV,CMSABS,CMSAS,LZGCML,LIGCMR,LIGCME,
LZGCMS
COMMON/FLAGS/AZRPLG, AZRPOL,TRZCON,LAKE,RZVBR,
$ BSTU,OCEAN,SEDRZV,SBDLKB.DZSFLG,CHMPLG,HATBOD
COMMON/ALPHAS/A1L,A2L,A3L.A1R,A2R,A3R.A1B,A2B,A3E,
$ A1O.A2O.A30
COMMON/WPARL/WVBLL(12,10),WMZNL(12,10),HMTLKB,ARBALK,
$ WDBPL.WVOLL
COMMON/WPARR/WVBLRC12.10),WMZNRC12,10),WMTRZV(20),
$ NR,HHZDR,WLBNR,HDEPR.WVOLR,WMTOLD,ARBAR
COMMON/WPARB/WVELE (12,10), WMZNB (1 2 . 1.0 ) , TZDMAX, BL, HWZDB,
$ WLENB,WDBPB,NPTSB,ARBAB
COMMON/WPARO/WVBLO(12,10),WCINO(12,10),BO,XOCEAN,NPTSO
COMMON/WRATBS /HKVL , WKPL, WKOL , WKBL . WKHL,
WKVR.WKPR,HKOR,WKBR,HKHR,
HXVB,WKPB,WKOB,WKBB,WKHB,
HKVO,HKPO,WKOO.HKBO,HKHO
COMMON/OUT/ACMAXL,AVAIRL,AVAZRR,AVAZRB,AWDEPL,AWDBPR,AHDEPB,
ASDBPL,ASDBPR,ASDBPB,WVOLAL,HVOLAR.HVOLAB,SVOLAL,
SVOLAR,SVOLAB,SWSURL,SWSURR,SWSURB.SWGRWL,SHGRWR,
SWGRHB,SCONUL,SCONUR,SCONUB,SCONLL,SCONLR,SCONLB,
CONL1,CONL2,CONL3,CONR1(20),CONR2(20),CONR3(20),
CNCBD1(11),CNCBD2(11),CNCBO3(11),CNCEU1(11),CNCEU2(11>,
CNCBU3(11),XBSTY(11),CONO1(10),CON02(10),CON03(10),
RBSUSB,HASHL,WASHR,WASHE,ACMAXR,ACMAXB,ACMAXS,
AVAZRS,ASDBPS,SVOLAS,SWGRWS,SCONUS,SCONLS,RESUSS,
RBSUSL,RBSUSR,SCONML,SCONMR,SCONMB,SCONMS,SHSURS,
HASHS.AREAK3)
REAL LAKE
DATA YES/OH YBS/.NO/4H NO/
MON=IMON
IP(LAKE.NB.YES)GO TO 100
C COMPUTE TOTAL RATE CONSTANT WKTOTL
C
ZF(MON.BQ.1.AND.ISTBP.BQ.1.AND.IYR.BQ.1)WKTOTL=
$ WKPL+WKHL+WKOL+WKBL+WKVL
C
C WATER BODY IS A LAKE. COMPUTE TOTAL POLLUTANT SOURCE WMINLK.
C
WMINLK=WMINL(MON,IYR)+AWMINL+SWMZNL
IP(WMINLK.BQ.O.O.AND.WMTLKB.BQ.O.O)GO TO SO
-------
209
WKDL=WVELL(MON,IYR)/SQRT(ARBALK)
WKTL=WXTOTL*A1L+WKDL
WKTDT=-WKTL*DT
BXHKT=BXP(WKTDT)
C
C COMPUTE MASS OF POLLUTANT IN LAKE (WHTLKB).
C
WMTLKE=WMINLK*(1.0-BXWKT)/WKTL+WMTLKB*BXWKT
C
C CALCULATE VOLATILIZATION RATE OUT OF LAKE (WAMOUL)
C
50 WAHOUL=HKVL*A1L*WMTLKB
IFdSTBP.GT.1 )GO TO 75
WVOLAL=0.0
C
C CALCULATE TOTAL MONTHLY VOLATILIZATION IN UG FROM LAKE (NVOLAL)
C
7 5 WVOLAL=WVOLAL+WAMOUL*DT*1.OE+9
IP(ISTBP.LT.NSTEPS)GO TO 100
C
C CONVERT CONCENTRATIONS TO UG/M**3 (WERE KG/M**3)
C CONL1 IS UNDISSOCIATBD DISSOLVED (NEUTRAL) CONCENTRATION, CONL2 IS
C IONIC CONCENTRATION, AND CONL3 IS ADSORBED CONCENTRATION (SEDIMENT)
C
CONL1=1.OE+9*A1L*HMTLKB/WVOLL
CONL2=1.OB+9*A2L*WMTLKB/WVOLL
CONL3=1.OB+9*A3L*WMTLKB/WVOLL
C
C
100 IF(RIVER.NB.YES)GO TO 200
C
C HATER BODY IS RIVER
C
C
C COMPUTE TOTAL RATE CONSTANT HKTOTR
C
IF(MON.BQ.1.AND.ISTBP.BQ.1.AND.IYR.BQ.1)WKTOTR=
$ WKPR+WKHR+WKOR+WKBR+WKVR
WKDR=WVELR(MON,IYR)/WLENR
WKTR=HKTOTR*A1R+WKDR
HKTDT=-WKTR*DT
BXHKT=BXP(WKTDT)
DO 150 1=1,NR
C . -
C COMPUTE TOTAL POLLUTANT SOURCE HMIN INTO REACH I
C
WMIN=AWMINR+SWMINR/PLOAT(NR)
IFd.BQ.1 )HMIN=WMINR(MON,IYR)+HMIN
IF(I.GT.1)WMIN=WMIN+HKDR*WMTOLD
IF(WMIN.BQ.O.O.AND.HMTRIV(I).EQ.O.O)GO TO 125
WMTOLD=WMTRIV(I)
C
C CALCULATE MASS OF POLLUTANT IN REACH I (NMTRIV) AND VOLATILIZATION
C RATE FROM REACH I (WAMOUR)
C
WMTRIV(I)=WMIN*(1.0-BXWKT)/WKTR+WMTRXV(I)*BXWKT
-------
210
WAMOUR(I> =HKVR*A1R*HMTRIV(I)
125 IPdSTEP.GT. 1 .OR.I.GT.1 )GO TO 140
WVOLAR=0.0
C
C CALCULATE TOTAL MONTHLY VOLATILIZATION IN UG PROM RIVER (HVOLAR)
C
1 40 WVOLAR=HVOLAR+WAHOUR(I)*DT*1.OB+9
IP(ISTBP.LT.NSTBPS)GO TO 150
C
C CONVERT CONCENTRATIONS TO UG/M**3 (WERE KG/H**3)
C CONR1 IS NEUTRAL PORN, CONR2 IS IONIC PORM, t CONR3 IS ADSORBED PORM
C
CONR1(I)=1.OB+9*A1R*NMTRIV(I)/HVOLR
CONR2(I)=1.OB+9*A2R*WMTRIV(I)/HVOLR
CONR3(I)=1.OB+9*A3R*HHTRIV(I)/HVOLR
150 CONTINUE
C
C
200 IP(ESTU.NB.YBS)GO TO 450
C
C HATER BODY IS ESTUARY
C
C
C COMPUTE TOTAL RATE CONSTANT HKTOTB
C
IP(MON.EQ.1.AND.ISTBP.EQ.1.AND.IYR.BQ.1)HKTOTB=
t HKPB+HKHE+HKOB+HKBB+HKVE
IPdSTBP.GT. 1 )GO TO 300
IP(MON.GT.1 .OR.IYR.GT.DGO TO 250
XARBAB=HHIDB*HDBPB
HVOLE=XARBAB*HLBNE
IP(DISPLG.EQ.NO)BL=378.6359*TIDMAX**(4.0/3.0)
C
C TIDMAX IS MAXIMUM TIDAL VELOCITY IN M/S AND
C EL IS THE LONGITUDINAL DISPERSION COBPPICIBNT IN M«*2/S
C
BLTHO=2.0*BL
HLBD2=HLBNB/2.0
ESTPT=HLBD2/PLOAT(NPTSB)
250 CONTINUE
HKTB=HKTOTB*A1B
DISPAC=4.0*HKTB*BL
C
C HVBLB IS PRBSH HATER VELOCITY OP THE ESTUARY, POLLOHING TERMS ARE
C CALCULATIONS USED IN PINAL CONCENTRATION EQUATION.
C
BSTPAC=SQRT(HVBLB(MON,IYR)*HVBLB(MON,IYR)+DISPAC)
HVELBU=(HVBLB(MON,IYR)+BSTPAC)/BLTHO
HVBLED=(HVBLB(MON,IYR)-BSTPAC)/BLTHO
SOURCB=HMINB(MON,IYR)/(XARBAB*BSTPAC)
C
C SOURCE IS IN KG/M**3
C
300 CONTINUE
C
C COMPUTE POLLUTANT SOURCE PROM AIR (AHMINB) I SOIL (SHMINB)
-------
211
C
AWMINB=AWMINB/WVOLB
SNMZMB=SWMZNB/WVOLB
NMZHDK=(AWMZNB+SHMZNB)/WKTE
C
C WHZNDK ZS ZN KG/H**3
C
ZF(ZSTBP.LT.NSTBPS)GO TO 400
XBST=0.0
NPTSP1=NPTSB+1
DO 350 1=1.NPTSP1
C
C CALCULATE CONCENTRATION ZN ESTUARY AT SELECTED POZNTS BOTH
C DOWNSTREAM (CONCBD) ( UPSTREAM (CONCBU) FROM SOURCE
C
CONCED=WMZNDK+SOURCB*EXP(HVBLED*XBST >
CONCEU=WMZNDK+SOURCB*BXP(-HVBLBU*XBST)
XBSTY(Z)=XBST
XBST=XBST+BSTPT
C
C COMPUTE CONCENTRATZONS ZN NEUTRAL (CNCBD1 C CNCBU1), ZONZC (CNCBD2
C t CNCBU2) AND ADSORBED FORM (CNCBD3 t CNCBU3) ZN UG/M**3
C
CNCBD1 ( Z ) =CONCBD*A1 B* 1'. OB+9
CNCBU1(Z)=CONCEU*A1B*1.OB+9
CNCBD2(Z)=CONCBD*A2B*1.OB+9
CNCBU2(Z)=CONCBU*A2B*1.OB+9
CNCBD3(Z)=CONCBD*A3B*1.OB+9
CNCBU3(Z)=CONCBU*A3E*1.OB+9
350 CONTZNUB
400 CONTZNUB
C
C CALCULATE POLLUTANT MASS ZN ESTUARY
C
PMASSE=HVOLB*(SOURCE*((1.0-BXP(-WVBLBU*HLBD2))/HVBLBU+
$ (-1.0+BXP(WVBLBD*WLBD2))/HVBLBD)+
$ WMZNDK*WLBNB)/WLBNB
C
C CALCULATE VOLATILZZATZON RATE (KG/S) TO AZR (WAMOUB)
C
NAMOUB=HKVB*A1B*PMASSB
ZFdSTEP.GT.1 )GO TO 425
WVOLAB=0.0
C
C COMPUTE TOTAL MONTHLY VOLATZLZZATZON FROM ESTUARY ZN UG (HVOLAB)
C
425 HVOLAB=WVOLAB+HAMOUB*DT*1.OB+9
C
C
450 IF(OCEAN.NB.YBS)RETURN
C
C COMPUTE TOTAL RATE CONSTANT HKTOTO
C
IFCMON.BQ.1.AMD.ZSTBP.EQ.1.AND.ZYR.BQ.1)WKTOTO=
$ WKPO+WKHO+HKOO+HKBO+WKVO
ZF(ISTBP.LT.NSTBPS)RBTURN
-------
212
IF(MON.GT.1 .OR.ZYR.GT.DGO TO 500
C
C FACO IS 12.0*A/(B**2/3> WHERE A = .000464159 IN MKS UNITS
C
PACO=.0055699/(BO**(2./3. »
500 CONTINUE
OFAC=PACO/HVELO(MON,IYR)
WKTODV=-WKTOTO*A10/WVELO(MON,IYR)
OCNPT=0.0
DO 600 1=1,NPTSO
OCNPT=OCNPT+XOCBAN
C
C COMPUTE CONCENTRATION FOR OCEAN AT POINTS OUT FROM DIFFUSER
C
CMAXO=WCINO(MON,IYR)*EXP(WKTODV*OCNPT)*
$ BRFCSQRTM.5/((1.0+2.0*OFAC*OCNPT/3.0)**3-1.0)))
C
C CALCULATE CONCENTRATIONS IN NEUTRAL (CONO1), IONIC (CON02) AND
C ADSORBED (CONO3) FORMS IN UG/M**3.
C
CONO1(I)=1.OB+9*A10*CMAXO
CONO2(I)=1.OB+9*A20*CMAXO
600 CON03(I)=1.OB+9*A30*CMAXO
RETURN
END
-------
213
The following subprograms are the SESOIL routines that were modified
and adopted for the TOX-SCREEN model. They are in alphabetical order.
-------
214
FUNCTION COHP(CONC,MWT,SK,LIGC.MWTLIG,B,THA,OPTH)
REAL LIGC, MWT, MLC, INT, HWTLIG, HLCO
COHP=0.0
ZP(SK .BQ. 0.0) GO TO 99
IP(CONC.BQ.O.O)GO TO 99
IF(LIGC.EQ.O.O)GO TO 99
C
C SOLUTION HILL BE NEAR FULL COMPLEXATZON OF EITHER LIGAND OR
C POLLUTANT. MAKE INITIAL ESTIMATE OP COHPLEXED CONCENTRATION AND
C DETERMINE WHICH DIRECTION TO GO.
C
C
CP=CONC/(MWT*1.E6>
CLIG=LIGC/(MWTLIG*1.E6)
IF(CP .LT. CLIG/B)GO TO 10
C
C LIGAND IS LIMITING REAGENT
C
MLCO=CLIG/B
GO TO 20
C
C POLLUTANT IS LIMITING REAGENT
C
10 MLCO=CP
C
C TO AVOID CONVERGENCE PROBLEMS, IF CONC. OF COMPLBXED
C POLLUTANT IS IN THE SUB PPB RANGE, SET IT TO 0. (DON'T CALC.)
C
20 IF(MLCO*MWT*1.E6 .LT. 1.B-3)GO TO 99
C
C ITERATIVE SOLUTION OF EQUATION
C
C SET UP ITERATION PARAMETERS
C
IFIG=0
ISIG=0
INT=1. B8
C
C FIND APPROPRIATE ITERATION INTERVAL
C
28 IF(INT.LT.MLCO) GO TO 29
INT=INT/10.
GO TO 28
C
C USB NEGATIVE INTERVAL TO DECREASE CONCENTRATION
C
29 INT=-1*INT
IFIABS(INT).LT.1.E-7)GO TO 99
SVMLC=MLCO
MLC=MLCO+INT
C
C SOLVE EQUATION SYSTEM
C CONVERGENCE CRITERIA:BASED ON E
C
25 SK1=MLC/((CP-MLC)*((CLIG-B*MLC)**B))
E=SK1-SK
-------
215
C
C TEST FOR CONVERGENCE
C
305 AE=ABS(E)
C
C CONVERGENCE CRITERION 1, IS EQUATION BALANCED WITHIN 1 PERCENT
C
IF(AE.LT. 0.01) GO TO 400
C
C CONVERGENCE CRITERION 2, HAS IT CROSSED THE ORIGIN(OVERSHOT)
C
IF(E.LT.O) GO TO 402
C
C CONVERGENCE CRITERION 3. HILL THE NEXT STEP CAUSE A NEGATIVE
C CONCENTRATION
C
IFCMLC+INT .LT. O.OJGO TO 402
C
C NOT CONVERGED
C
IFIG=1
SVHLC=HLC
MLC=MLC+INT
GO TO 25
C
C TRY SMALLER INTERVAL(CRITERIA 2 OR 3)
C
402 IFCIFIG .EQ. 0) GO TO 410
ISIG=ISIG+1
IF(ISIG.EQ.6)GO TO 409
410 INT=INT/10.
IF(ABS(INT).LT.1.OE-8) GO TO 409
MLC=SVMLC+INT
GO TO 25
C
C STOP WHEN INTERVAL IS VERY SMALL,(I.E. CONCENTRATRATION IS
C CALCULATED TO WITHIN NUMERICAL ACCURACY OF THE MACHINE)
C
409 MLC=SVMLC
C
C FINAL CONVERGENCE OF EQUATION
C
400 COMP=MLC*MWT*THA*DPTH*1.E6
C
C SET COMPLEXBD MASS TO ZERO IF IN LOW RANGE
C
IF(MLC*MWT*1.E6 .GE. 1.E-3)GO TO 99
COMP=0.0
99 CONTINUE
RETURN
END
-------
216
FUNCTION DEPTHCTHA.N.IE.RG.DO.NI)
C
C THIS SUBROUTINE CALCULATES THE DEPTH OF THE RAINFALL FRONT.
C
REAL N,IZ,NI
FLOW=(IZ+RG)
IF(FLOW.LT.0.)FLOW=IA
DEPTH1=FLOW/(2.*THA*N*NI>
IP(DEPTH1 .LT. 0)DEPTH1=0.
DEFTH=DO + DEPTH1
RETURN
END
-------
217
FUNCTION PGAMA(X)
C
C THIS SUBROUTINE HAS BEEN CODED IN FORTRAN BY P.G. BAGLESON
C (BAGLESON,1977)
C
C
DIMENSION B(8)
DATA B/-0.577191165,0.98820589,-0.89705694,0.91820686,
$-0.75670408,0.48219939.-0.19352782.0.03586834/
C
C FOR 02, USB STERLING'S APPROXIMATION
4 IF(X-2.) 6,9,7
6 FGAMA=1.
X2=X-1
XII=1.
8 DO 5 1=1,8
XII=XII*X2
5 FGAMA=FGAMA+B(I)*XII
RETURN
9 FGAMA=1.
RETURN
7 XII=1./X
X2=XII*XII
X3=X2*XII
X4=X2*X2
FGAMA=(1.0+XII/12.0+X2/288.-139./51840.*X3
$-571./2488320.*X4)*2.50662B*X**(X-0.6)*EXP(-X)
RETURN
END
-------
218
FUNCTION PZB(D)
C ===============
C
C THIS SUBROUTINE HAS BEEN CODED IN FORTRAN BY P.G. EAGLBSON
C (EAGLBSON,1977)
C
C
C THIS FUNCTION COMPUTES THE DESORPTION COEFFICIENT BY MEANS OF A
C LOGARITHMIC INTERPOLATION OF THE VALUES GIVEN IN THE TABLE(SEE
C (SEE BAGLESON.1977)
C
DIMENSION Y(6)
DATA Y/0.18,0.11,0.077,0.056,0.044,0.034/
IFCD.GT.7.)GO TO 11
IFCD.LT.2.) GO TO 12
X=D-1.
I=IFIX(X>
FRAC=X-FLOAT(I)
Y1=ALOG(Y(I))
Y2=ALOG(Y(I+1))
FIB=BXP((Y2-Y1)*FRAC+Y1)
RETURN
11 FIB=0.034
RETURN
12 FIE=0.20
RETURN
END
-------
219
FUNCTION PII(D,SO,IOW>
C
C THIS SUBROUTINE HAS BEEN CODED IN FORTRAN BY P.G. BAGLBSON
C (BAGLBSON,1977)
C
C
C THIS FUNCTION COMPUTES THE SORPTION COEFFICIENT BY MEANS OF A
C DOUBLE LINEAR INTERPOLATION (BAGLBSON, 1977)
C
DIMENSION DK1 0,4)
DATA DI/0.295,0.314,0.345,0.375.0.415,0.440,0.477,0.520,0.560,0.6,
$0.234,0.254,0.280,0.310,0.345,0.382,0.428,0.478,0.537,0.6,
f0.192,0.205,0.232,0.264,0.300,0.340,0.390,0.450,0.520,0.6,
$0.142,0.151,0.175,0.203,0.234,0.274,0.323,0.390,0.482,0.67
IS=IFIX(SO*10.)
IFdS.GB.10) GO TO 30
IP(D-4.) 12,11,10
10 DD=2.
ID1=3
ID2=4
X=D-4.0
GO TO 13
12 ID1=IFIX(D)-1
ID2=ID1+1
X=D-FLOAT(ID1+1 )
DD=1.0
GO TO 13
11 ID1=3
102=3
X=0.0
DD=1.0
13 IFdS.LT.1 ) GO TO 20
17 CALL LINT(DI,ID1,IS.SO.VAL1,IOW)
14 CALL LINT(DI,ID2,IS,SO,VAL2,IOW)
15 PII=((VAL2-VAL1)/DD)*X+VAL1
RETURN
20 VAL1=DI(1,ID1)
VAL2=DI(1,ID2)
GO TO 15
30 FII=0.6
RETURN
END
-------
220
FUNCTION GAMA(A.X)
C
C THIS SUBROUTINE HAS BEEN CODED IN FORTRAN BY P.G. EAGLESON
C (EAGLESON.1977)
C
C
C THIS FUNCTION COMPUTES THE TRUNCATED GAMMA DISTRIBUTION
C ACCORDING TO THE ALGORITHM DEVELOPED BY THE NATIONAL BUREAU OF
C STANDARDS (HANDBOOK OF MATHEMATICAL TABLES; BAGLBSON,1977)
C
C
IFCX.EQ.O.) GO TO 13
SUM = 1./A
AN = 1.0
OLD=SUM
33 OLD=OLD*X/(A+AN>
IF(OLD/SUM-1.B-5) 20,10,10
10 AN=AN+1.
SUM=SUM+OLD
IF(AN-300.)33,33,12
12 WRITE(ION,100) X
100 FORMAT(1 OX,'NO CONVERGENCE CAN BE OBTAINED FOR X=',B20.6>
20 GAMA=(0.886227-BXP(A*ALOG(X)+ALOG(SUM)-X»
RETURN
C THE FOLLOWING STATEMENT IS A DEFINITION ONLY
13 GAMA=0.0
RETURN
END
-------
221
SUBROUTINE HYDROA(L,TA,NN,S,A,REP,T,MPA,MTR,MN,MT,MH)
C
C THIS SUBROUTINE CALCULATES ANNUAL HATER BALANCES
C
REAL NUT1.LOAD
COMMON /TI/ TITLBS(5,12)
COMMON /EX/ JRUN,LEVEL,JRB,JSO,JCH,JNUT,JAPPL,JYRS
COMMON /HYM/ CLIMMK6,12.10),CLIMM2(6,12,10),CLIMM3(12,10)
COMMON /NU/ NUTK6)
COMMON /SO/ SOILK6) , SOIL2C6)
COMMON /CH/ CHEM1(18)
COMMON /AP/ GEOM(20) ,LOAD(6) ,RUNLO(6),RUNM1 (10,12), RUNM2MO, 12)
COMMON /HB/ HYDBAL(13,10)
COMMON /PI/ IOR.IOW,IGB.ILO,IL1,IL2.IL3
REAL LIGU.LIGM.LIGL
COMMON /LBV2/PCONC(13,15,3),THM,LIGU,LIGL,LIGM
COMMON /HYR/ THA.PA,IA,ETA,RSA,RGA,YA.GZ,SIGMA,PGAM,G,XI
REAL L,M,C,N,K1,NU,MWA,MPA,MH,MTR,MN,MT,NN,KOC.KDB,KD,MI,MA,MTB,MB
REAL NUT,JB,IA.KS,IAX,IAU,IAL, K1U.K1M.K1L
C
C COMPILE SOIL PARAMETERS(SOIL1)
C
12 RS = SOIL1(1)
K1 = SOIL1(2)
C = SOIL1(3)
N = SOIL1(4)
OC = SOIL1(5)
CC = SOIL1(6)
CEC= SOIL2CI )
K1U= SOIL2(2)
K1L= SOIL2U)
K1M=0.
IP(LEVEL .GB. 3)K1M=SOIL2(3)
C
C COMPILE GEOMETRY DATA
C
AR = GBOMM )
Z = GEOM(2)*100.
DU = GBOM(3)
DM = GEOM(I)
C
C CALCULATE AVERAGE PERMEABILITY (IP NECESSARY)
C
IP(K1 .NB. 0.0 )GO TO 15
DL = Z -(DU+DM)
K1=(DU+DL)/((DU/K1U)+(DL/K1L))
IP(LEVEL .GB.3) K1=(DU+DM+DL)/((DU/KlU)+(DM/K1M)+(DL/K1L))
C
C SET CONSTANTS (LATENT HEAT OP VAP.;WATER DENSITY)
C
15 HLB=597.
RH=1.0
C
C COMPUTE BASIC PARAMETERS (STEPS 1-9)
C
MI=MH/MTR
-------
222
ALFA=1./MI
HTB=(MT/MN)-HTR
BBTA=1./MTB
ETHA=1./MM
DBLTA=1./HTR
M =2./(C-3. )
D =(C+1.>/2.
PC = 10.**<0.66+<0.55/M)+(0.14/M*»2.))
C
C COMPUTE WATER CONSTANTS
C SUT=SATURATION
C NU=VISCOSITY
C GAMSW=SPECIFIC WEIGHT OF WATER
C
CALL WATCN(TA,SUT,NU,GAMSW)
C
C COMPUTE WAT.BUDGET PARAMETERS (STEPS 10-21)
C
SG=SUT/GAMSW
PSI1= SG*SQRT(N/(K1*PC))
BK1 = K1*GAMSW*86400./NU
B = 1. + ((3./2.)/(M*C-1 . ))
W = B*BK1*((PSZ1/Z)**(M*C))
IFCREP.GT.O.> GO TO 20
QZ = 0.358-0.004*(L-25.)
QB = <1.-0.8*NN>*(0.245-0.145*(10.**(-10.»*,10X,'*************WARNZNG*************',///,
11 OX,'USB OF SMALL SOZL PERMEABILITY AND/OR GROUNDWATBR DEPTH',/,
21 OX,'HAVE CAUSED THB CALCULATED CAPILLARY RISE VELOCITY(W) TO',/,
310X,'BB GREATER THAN THE POTENTIAL BVAPOTRANSPIRATZON RATB(BP),',
4/,10X,'A VIOLATION TO THB MODEL ASSUMPTION. TO ENSURE THE CON-',
5/,10X,'TINUITY OF THB MODEL EXECUTION, W IS RESET TO W=0.99(BP).'
6/,1OX,'MODEL OUTPUT MAY GIVE ONLY APPROXIMATE SOLUTIONS AND',/,
71 OX,'MUST BE INTERPRETED WITH CAUTION.')
C ********************************
22 FIBD=FIB(D)
C
C START ITERATIVE PROCEDURE TO SOLVE WATER BALANCE
C
SO=.038059*(1.0/K1**0.0466573>*C**0.757928
IPLAG=1
ISW=0
-------
223
c
C COMPUTE FUNCTIONS (STEPS 22-25)
C
800 B = ((2.*BBTA*N*BK1*PSZ1*PZBD)/(3.1415927*H*((ABS(BP-W))**2.)))
$*(SO**(D+2.))
IFCB.GT.10.)GO TO 10
GAM=GAMA(1.5,B>
JB = 1.-(1.+1.414114*B)*BXP(-B)+SQRT(2.*B)*GAM
GO TO 101
10 JB =1.0
101 CONTINUE
C
C COMPUTE MATRIX POTENTIAL COEFFICIENTS (STEPS 26-30)
C
FIID = FIKD.SO.IOW)
SIGMA=((5.*N*(ETHA**2.)*BK1*PSI1*((1.-SO)**2.)*FIIO)/(6.*3.1415927
$*DBLTA*M))**(1./3.)
FGAM = FGAMA(SIGMA+1.)
G = 0.5*ALFA*BK1*(1 .+SO**O-ALFA*W
XI = BXP(-2.*SIGMA>*FGAM/(SIGMA**SIGMA)
C
C COMPUTE HATER BALANCE COMPONENTS (STEPS 31-36)
C
IP(REP .GT. 0.0)BTA=EBPA
IF(REP .BQ. 0.0)BTA=BBPA*JB
PA = (ETA+(MT*BK1*(SO**C))-T*W)/(1.-BXP(-G)*XI)
IA = PA*(1.-EXP(-G)*XI)
RSA= PA*(BXP(-G)*XI)
RGA=MT*BK1*(SO**C)-T*W
YA = RSA+RGA
C
C TEST FOR CONVERGENCE
C
C AGREEMENT TO WITHIN . 1*
C
GZ = PA/MPA
IPCGZ.GB.1.01.AND.IFLAG.BQ.1)ISH=1
IFLAG=2
IF(ISH.BQ.1)GO TO 25
IF(GZ.GT.0.999) GO TO 70
C
C NOT CONVERGED
C
23 CONTINUE
ISH=0
DSO=0.001
SO=SO+DSO
IP(SO.GT.1.)GO TO 999
GO TO 800
25 IF(GZ.LT..99)GO TO 23
IF(GZ.LT.1.01)GO TO 70
DSO=0.001
SO=SO-DSO
GO TO 800
C
C CALCULATE ACTUAL SOIL MOISTURE CONTENT THA=SO*N
-------
224
C
70 THA=SO*N
C
C RETURN TO LEVEL ROUTINE
C
RETURN
999 WRITB19.903)
903 FORMAT('SO OUT OF BOUNDS')
STOP
END
-------
225
SUBROUTINE HYDROM
-------
226
IMO=1
TASUM=TASUM/12.
NNSUM=NNSUM/12.
SSUM=SSUM/12.
ASUM=ASUM/12.
REPSUM=REPSUM/12.
MTRSUM=MTRSUM/12.
MHSUM=MPASUM/MNSUM
T=365.
C
C COMPILATION OF SOIL PARAMETERS (STORED IN ARRAY SOIL!)
C
RS = SOIL1(1)
K1 = SOIL1(2)
C = SOIL1(3)
N = SOIL1(4)
OC = SOIL1(5)
CC = SOIL1(6)
K1U= SOIL2C2)
K1L= SOIL2(4)
IF(LEVEL .GB. 3)K1M= SOIL2(3)
C
C COMPILATION OF GEOMETRIC PARAMETERS
C
AR = GBOM(1)
Z = GEOM(2>*100.
DU = GEOM(3)
DM = GBOM(4>
C
C CALCULATE AVERAGE PERMEABILITY (IF NECESSARY)
C
IFCK1 .NE. 0.0 )GO TO 14
DL = Z -(DU+DM)
K1=(DU+DL)/((DU/K1U)+(DL/K1L)>
IF(LEVEL .GB.3) K1=(DU+DM+DL)/((DU/K1U)+(DM/K1M)+(DL/K1L))
C
C FOR FIRST YEAR ONLY , RUN HYDROA TO GET AN ESTIMATE FOR INITIAL
C MOISTURE CONTENT AND OTHER PARAMETERS
C
14 CALL HYDROA(L,TASUM,NNSUM,SSUM,ASUM,REPSUM,T,MPASUM,MTRSUM,
*MNSUM.MTSUM,MHSUM)
C
C ESTIMATION OF MONTHLY HYDROLOGIC CYCLE COMPONENTS
C RUN FOR 12 MONTHS
C
100 CONTINUE
C
C COMPILATION OF CLIMATIC PARAMETERS (LEVELS 2(3)
C
L = CLIMM1(1,1,IYR)
TA = CLIMM1(2,IMO.IYR)
NN = CLIMM1(3,IMO.IYR)
S = CLIMM1(4,IMO.IYR)
A = CLIMM1(5,IMO.IYR)
REP= CLIMM1(6,IMO.IYR)
-------
227
C COMPILATION OP TIME C RAINFALL PARAMETERS (LEVELS 2(3)
C
T = 365.
MPA= CLIMM2M ,IMO,IYR)*12.
MTR= CLIMM2C2,IMO.IYR)
MM = CLIMM2(3,IMO,IYR)*12.
NT = CLIMM2(4,IMO,IYR)*12.
C
C CONSTANT VALUES (LATENT HEAT OP VAP.;WATER DENSITY)
C
HLB=597.
RW=1.0
C
C IP MONTHLY RAINPALL IS NOT 0.0, PROCEED AS USUAL
C OTHERWISE SEE BELOW STATEMENT POR ZERO RAINPALL CONSTRAINT
C
IP(MPA.GT.O.O)GO TO 15
C
C POR MPA=0.0 ASSUME BASIC CLIMATIC PARAMETERS (STEPS 1-6)
C HAVING A NEGLIGIBLE VALUE. THIS CONSTRAINT IS NOT USED
C
C MPA=0.1
C MTR =0.20
C MN = 1.0
C MT = 0.5
C
C ALTERNATIVE CONSTRAINTS POR MPA=0.0
C
MPA= 0.0
MTR= 0.0
MN = 0.0
MT = 0.0
MH = 0.0
MI = 0.0
MTB= 365./12.
BBTA=12./365.
GO TO 16
C
C ESTIMATE BASIC SYNTHETIC PARAMETERS(POR MPA NOT =0.) (STEPS 1-9)
C
15 MH=MPA/MN
MI=MH/MTR
ALPA=1./MI
MTB=(MT/MN)-MTR
BETA=1./MTB
ETHA=1./MH
DBLTA=1./MTR
C
16 M =2./(C-3.)
D =(C+1.)/2.
PC = 10.**(0.66+(0.55/M)+(0.1«/M**2.))
C
C COMPUTE WATER CONSTANTS
C SUT=SATURATION
C NU=VISCOSITY
C GAMSW=SPBCIPIC WEIGHT OP WATBR
-------
228
CALL WATCH(TA,SUT,NU,GAMSW>
C
C COMPUTE WATER BUDGET PARAMETERS (STEPS 10-21)
C
SG=SUT/GAMSW
PSZ1= SG*SQRT(N/(K1*PC>)
BK1 = K1*GAMSW*86400./NU
B = 1.+(C3./2.)/(M*C-1.))
W = B*BK1*((PSI1/Z)**(M*C»
IF(REP.GT.O.> GO TO 20
QZ = 0.358-0.004*(L-25.)
IF(TA.GE.O.O) GO TO 411
QB = (1.-0.8*NM)*(0.245-0.145*(10.**(-10.))*(0.0)>
GO TO 412
411 QB = (1.-0.8*NN>*(0.245-0.145*(10.**(-10.))*(TA**4.))
412 H = QB/(0.25+<1./<1 .-S)))
DB=0.42+0.013*TA
EP = 60.*24.*(QZ*(1.-A)-QB+H)/(RW*HLE/DB>
GO TO 21
20 QZ=0.
QB=0.0
H=0.0
DB=0.0
EP=REP
21 BBPA=MT*EP
C ******************************
ZF(W.GB.EP) W=0.99*BP
C ******************************
PIED=PIE(D)
C
C START ZTERATZVE PROCEDURE TO OBTAZN SOLUTION OF HYD.BALANCE BQUAT.
C
SO=THA1/N
ZSW=0
ZFLAG=1
C
C COMPUTE FUNCTZONS (STEPS 22-25)
C
800 E = ((2.*BETA*N*BK1*PSZ1*FZED)/(3.1415927*M*((ABS(BP-W))**2.)))
$*(SO**(D+2.))
ZF(E.GT.10.)GO TO 10
GAM=GAMA(1.5,E)
JE = 1.-(1.+1.414114*B)*BXP(-B)+SQRT(2.*B)*GAM
GO TO 101
10 JB =1.0
101 CONTINUE
C
C COMPUTE MATRZX POTENTIAL COEFFICIENTS (STEPS 26-30)
C
FZZD = FIZ(D,SO,IOW)
C
C ZF HPA NOT = 0, PROCEED AS USUAL
C
ZF(MPA .GT. 0) GO TO 17
C
C ZF MPA = 0, SET BELOW SOIL-MOISTURE INSENSITIVE PARAMETERS
-------
229
C TO PREVIOUS MONTHLY VALUES. THIS SECTION IS OPERATIONAL
C
SIGMA = SIGMA1
PGAM = PGAM1
G = G1
XI = XI1
GO TO 18
C
C FOR MPA NOT = 0, CALCULATE PARAMETERS
C
17 SIGMA=((5.*N*(ETHA**2.)*BK1*PSI1*((1.-S0)**2.)*FIID)/(6.*3.1415927
$*DELTA*M))**(1./3. )
IF(SIGMA.GT.25.0)SIGMA=25.0
FGAM = PGAMA(SIGMA+1.)
G = 0.5*ALFA*BK1*(1.+SO**C)-ALFA*H
XI = EXP(-2.*SIGMA>*FGAM/(SIGMA**SIGMA>
C
18 CONTINUE
C
C
C ESTIMATION OF HYDROLOGIC CYCLE COMPONENTS (STEPS 31-36)
C
S01=THA1/N
IF(REP .GT. 0.0)ETA=EEPA
IF(REP .BQ. 0.0)ETA=EBPA*JB
PA=(BTA+(MT*BK1*(SO**C))-(T*W)+(N*Z*(SO-SO1)))/(1.-BXP(-G)*XI)
IA = PA*(1.-BXP(-G)*XI)
RSA= PA*(BXP(-G)*XI>
RGA= MT*BK1*(SO**C)-T*W
YA = RSA+RGA
C
C CONVERGENCE CRITERION FOR MPA=0.0
C
IF(MPA.GT.O.O) GO TO 22
IF(PA.GT.O.O) GO TO 70
GO TO 23
C
C TEST FOR CONVERGENCE
C TO WITHIN . 1*
C
22 GZ = PA/MPA
IFCGZ.GE.1.01.AND.IFLAG.BQ.1)ISW=1
IFLAG=2
IFdSH.BQ.1 )GO TO 25
IF(GZ.GT.0.99> GO TO 70
C
23 CONTINUE
C
C
C CONVERGENCE NOT ACHIEVED. REPEAT SO LOOP
C
ISW=0
DSO=0.001
SO=SO+DSO
GO TO 800
25 IF(GZ.LT.0.99)GO TO 23
-------
230
ZP(GZ.LT.1.01)GO TO 70
080=0.001
SO=SO-DSO
GO TO 800
c
C ESTIMATE ACTUAL SOIL MOISTURE CONTENT THA=SO*N
C
70 THA=SO*N
THA1=THA
PA1=PA
IA1=IA
ETA1=BTA
RSA1=RSA
YA1=YA
GZ1=GZ
SIGMA1=SIGMA
FGAM1=PGAM
G1=G
XI1=X1
C
C STORE MONTHLY SIMULATION RESULTS IN HYDBAL ARRAY
C
HYDBAL(IMO,1)=THA
HYDBAL(IMO,2)=PA/12.
HYDBAL(IMO,3)=IA/12.
HYDBAL(IMO,4)=BTA/12.
HYDBAL(IMO,5)=RSA/12.
HYDBAL(IMO,6)=RGA/12.
HYDBAL(IMO,7)=YA/12.
HYDBAL(IMO,8)=GZ
HYDBAL(IMO,9)=CLIMM2(1,IMO,IYR)
500 CONTINUE
C
C THIS YEAR'S SIMULATION ACCOMPLISHED RETURN TO LEVEL ROUTINE
C
RETURN
END
-------
231
SUBROUTINE LEVEL3
C =================
C
C THIS SUBROUTINE ESTIMATES THE MONTHLY HYDROLOGIC CYCLES AND
C CONSEQUENTLY GIVES A PATE ASSESSMENT FOR THE COMPOUND. THIS
C LEVEL MODELS 3 SOIL LAYERS, WITH A MONTHLY TIME STEP.
C
REAL NUT1.LOAD
COMMON /TI/ TITLES(5,12)
COMMON /EX/ JRUN.LEVEL,JRB,JSO.JCH,JNUT,JAPPL.JYRS
COMMON /HYM/ CLIMM1(6,12,10),CLIMM2(6,12,10),CLIMM3(12,10)
COMMON /NU/ NUTK6)
COMMON /SO/ SOILK6) ,SOIL2(6)
COMMON /CH/ CHBM1(18)
COMMON /AP/ GEOM(20),LOAD(6),RUNLO(6),RUNM1(10,12),RUNM2C10,12)
COMMON /HB/ HYDBAL(13,10)
COMMON /PI/ IOR.IOW,IGB,ILO,IL1,IL2,IL3
REAL LIGU,LIGM,LIGL,IA
COMMON /LEV2/PCONC(13,15,3),THM,LIGU,LIGL.LIGM
COMMON /HYR/ THA.PA,IA,ETA,RSA,RGA,YA.GZ.SIGMA,PGAM,G,XI
COMMON/SPARE/ARE,AREASE
COMMON/SPARR/ARR,AREASR
COMMON/SPARL/ARL,ARBASL,XSOIL
COMMON/SPARS/ARS,AREAS,XLBNS
COMMON/MEDIA/AHMINR.AHMOUR,WAMOUR(20),ANMINL,AWMOUL,
$ WAMOUL,SWMINL,SNMINR,AWMINB,AHMOUB,SWMINB,WAMOUB,
$ SAMOUL,ASMIDL,ASMINL,SAMOUR,ASMIDR,ASMIWR,SAMOUB,
$ ASMIDB,ASMIHE,ASMOHL,ASMODL,ASMODR,ASMOWR,
$ ASMODB,ASMOWE.SWMOUL,SNMOUR,SWMOUB,CUMLKE,
$ CLMLKB,CUMRIV.CLMRIV,CUMBST,CLMBST,ASMODS,ASMOWS,
$ ASMIDS,ASMIHS,SAMOUS,CUMS,CLMS,SUMLKB,SLMLKB,CUSALK,
$ CLSALK.LIGCUL,LIGCLL,SUMRIV,SLMRIV,CUSARV,CLSARV.
$ LIGCUR.LIGCLR,SUMBST,SLMBST,CUSABS,CLSABS,LIGCUB,
$ LIGCLE,SUMS,SLMS,CUSAS,CLSAS,LIGCUS,LIGCLS,CMMLKB,
$ CMMRIV,CMMBST,CMMS,SMMLKB,SMMRIV,SMMBST,SMMS,
$ CMSALK.CMSARV,CMSABS,CMSAS,LIGCML,LIGCMR,LIGCME,
$ LIGCMS
COMMON/SDPARO/SBDCO(12,10).CONSDO
COMMON/SDPARB/SEDCB(12,10).CONSDE
COMMON/SDPARL/SEDCL(12,10),DIASDT,DBNSDT.DENWT,SLOPBT,WDBPT,CONSDL
COMMON/SDPARR/SEDCR(12,10),DIASDR,DENSDR,DENWR,SLOPBR,CONSDR
COMMON/PLAGS/AIRPLG,AIRPOL,TRICON,LAKE,RIVER,
$ ESTU,OCEAN,SBDRIV,SBDLKB,DISPLG,CHMPLG,WATBOD
REAL NO,LAKE
DIMENSION AMO(12),HYDOUT(12)
DATA AMO/' OCT',' NOV.' DEC',1 JAN1,' PEB'.' MAR',
*' APR1,1 MAY1,1 JUN1,1 JUL1,1 AUG',1 SBP1/
DATA NO/4H NO/,YBS/4H YES/
C
C INITIALIZE ARRAYS
C
DO 1 IHATBR=1,3
DO 1 1=1,12
DO 1 J=1,15
PCONC(I,J,IHATBR)=0.0
1 CONTINUE
-------
232
c
C PRINT TITLES AND INPUT VARIABLES
C
WRITB(IOW,703)
703 PORMATC'1',/,1X,77('*'),/)
WRITE(IOW,700)JRUN
700 PORMATC/./,1X,'RUN :',13,T25,'****** LEVELS SBSOIL MODEL '.
*'OPERATION ****»*•,/,T26,'MONTHLY SITE SPECIFIC SIMULATIONS LAY',
*'ERS)',/,/)
WRITE(IOW,901)
901 PORMAT(/,/,5X, 99('*'),/,5X,'****»',T100,'*****',/,
*5X,'***** SBSOIL-82: SEASONAL CYCLES OP WATER. SEDIMENT, ',
1'AND POLLUTANTS IN SOIL ENVIRONMENTS',T100,'*****',/,
2 5X,'*****',T100,'***»*')
WRITE (IOW.902)
902 FORMAT<5X,****** DEVELOPERS: M. BONAZOUNTAS,ARTHUR D. LITTLE INC.
1 ,(617)864-5770,X5871',T100,•*****')
WRITE(IOW,903)
903 FORMAT<5X,****** j. WAGNER .ARTHUR D. LITTLE INC.
1 ,(617)864-5770,X2585',T100,•*****•,/,
2 5X,'*****',T100,'*»***')
WRITE(IOW,90S)
905 FORMAT(5X,****** VERSION: JULY 1982',T100.'*****',/,
* 5X.•*****',T100,'*****•,/,5X,•*****•,T100,•*****•,/.
*5X,99('*'),/,/,23X,'INDEX')
WRITE(IOW,702)JRE,(TITLES(1,IQ),IQ=1.12),
*JSO,(TITLES(2,IR).IR=1,12),
*JCH,(TITLES(3,IS),15=1,12),
*JAPPL,(TITLES(5.IT),IT=1,12>
702 FORMAT(1 OX,'REGION : (',15,' )',T35,12A4,/
*1OX,'SOIL TYPE : ( ' , 15, ')',T35,12A4,/,
*1OX,'COMPOUND : ( ' ,15, ')',T35,12A4,/,
*10X,'APPL. AREA: ( ' , 15, ')',T35,12A4)
WRITB(IOW.705)(GBOM(IQ),IQ=1,4).GEOMMQ)
705 FORMAT(/,/,1OX,'GENERAL INPUT PARAMETERS',/,1 OX,24(' = '),4(/),6X,
*'— APPLICATION PARAMETERS —',/,/,IX,'AREA(SQ.CM): ',G7.2,/,1X,
•'DEPTH TO GRW(M): ',G7.2,/,1X,'UPPER SOIL ZONE DBPTH(CM): '.
•G7.2./.1X,'MIDDLE SOIL ZONE DEPTH(CM): ',G7.2,/,1X.
*'FREUNDLICH BXPONBNT(-): ',G7.2>
WRITB(IOW,711)GBOM(15),GBOM(16),GEOM(17)
711 FORMATdX, ' PH UPPER ZONB(-): ',G7.2,/,
*1X.'PH RATIO MIDDLE:UPPER ZONB(-): ',G7.2,/
*1X,'PH RATIO LOWER:UPPER ZONE(-): ',G7.2>
WRITB(IOW,712)GEOM(6),GBOM(9),GBOM(7),GBOM(10),GBOM(8),GBOM(11>
712 FORMAT(IX,'DEGRADATION RATIO MIDDLE:UPPER ZONB(-): ',
*G7.2,/,IX,'DEGRADATION RATIO LOWER:UPPER ZONB(-): ',G7.2
*,/,1X,'ORGANIC CARBON CONTENT RATIO MIDDLE:UPPER ZONE(-): ',
*G7.2,/,IX,'ORGANIC CARBON CONTENT RATIO LOWER:UPPER ZONE(-):
*'.G7.2./.1X,'CLAY CONTENT RATIO MIDDLE:UPPER ZONB(-): '.G7.2.
*/,1X,'CLAY CONTENT RATIO LOWER:UPPER ZONB(-): ',G7.2)
WRITE(IOW,725)GBOM(18),GBOM(19>
725 FORMATdX,'CATION EXCHANGE CAPACITY RATIO MIDDLE: LOWER ZONB(-): ',
•G7.2./.1X,'CATION EXCHANGE CAPACITY RATIO LOWER:UPPER ZONB(-): ',
*G7.2)
WRITB(IOW,708)(CHBM1(IQ),IQ=1.6)
708 FORMATC1 ' ,5(/),6X,'— CHEMICAL PARAMETERS —',/,/, 1X,
-------
233
•'SOLUBILITY(UG/ML): ',G7.2./.1X,•ADSORP. COEP.(KOC): ',G7.2,/.1X,
*'DZF. COEF. IN AIR(SQ.CM/SBC): ',G7.2,/,1X,
*'DEGRADATION RATE(/DAY): ',G7.2,/,1X,'HENRYS CON.(CU.M-ATM/MOLE):
*',G7.2,/,1X,'ADSORP. COBF. ON SOZL(K): ',67.2)
WRITB(IOW,709)(CHBH1(IQ),IQ=7,11)
709 FORMATdX,
•'MOLECULAR HT.(G/MOL): ',G7.2,/,1X.'VALENCE(-): '.G7.2./.1X,
•'NEUTRAL HYDROLYSIS CONSTANT(/DAY): ',G7.2,/,1X,
•'BASE HYDROLYSIS CONSTANT(L/MOL-DAY): ',G7.2f/,1X,
*'ACID HYDROLYSIS CONSTANT(L/MOL-DAY): ',G7.2)
WRITE(IOH,713)(CHEM1(IQ),IQ=13,15)
713 FORMATdX,
*'LIGAND-POLLUTANT STABILITY CONST.(-): ',G7.2f/,1X,
•'NO. MOLES LIGAND/MOLB POLLUTANT(-): ',G7.2,/,1X,
•'LIGAND MOLECULAR HEIGHT(G/MOL): ',67.2)
WRITB(IOW,710>(SOIL1(IQ),IQ=1,6)
710 FORMAT(/,/,6X,'— SOIL PARAMETERS —',/,/,1X,
•'DENSITY(6/CU.CM): ',67.2,/,1X,'INT. PERMEABILITY(SQ.CM): ',
•67.2,/,1X,'DISCONNECTEDNESS INDBX(-): ',67.2,/,1X,'POROSITY(-): '
•G7.2,/,1X,'ORGANIC CARBON CONTBNT(X): ',G7.2,/,1X,
*'CLAY CARBON CONTENT(X): ',67.2)
WRITE(IOW,714>(SOIL2(IQ),IQ=1,5)
714 FORMAT(1X,
'CATION EXCHANGE CAP. (MILLI BQ./1006 DRY SOIL): '.G7.2,/,1X,
•INTRINSIC PERMEABILITY-UPPER ZONE(SQ.CM): ',G7.2,/,1X,
•INTRINSIC PERMEABILITY-MIDDLE ZONE(SQ.CM): '.G7.2,/,1X,
'INTRINSIC PERMEABILITY-LOWER ZONB(SQ.CM): ',G7.2,/,1X,
'DUST LOADING FACTOR (U6(SOIL)/M**3): ',67.2)
IF(JYRS .LT. 1)JYRS=1
C
C RUN FOR JYRS
C
C INITIALIZE AREA OF DIRECT APPLICATION FOR BACH WATER BODY CASE
C AND AREA OF SOIL NEXT TO EACH WATER BODY COVERED BY PLUMB.
C
ARE=GBOM(1)
AREASE=ARE*.0001
ARR=GBOM(1)
ARBASR=ARR*.0001
ARL=GEOM(1)
ARBASL=ARL*.0001
ARS=6EOM(1)
AREAS=ARS*.0001
C
C TIME STEP IS 3 DAYS, NSTBPS IS NUMBER OF STEPS PER MONTH
C
DT=3.0*24.0*3600.0
NSTBPS=10
DO 720 1=1,JYRS
C
C IF NOT FIRST YEAR.READ APPLICATION DATA FROM FILE: L3 DATA
C
IFd.BQ.1 ) GO TO 718
READ (IL3, 906 HRUNM1 ( 1 , IQ) ,IQ=1 ,12)
READ (IL3, 906 HRUNM1 (2,IQ),IQ=1 ,12)
READ (IL3, 906 HRUNM1 (3,IQ) ,IQ=1 ,12)
-------
234
RBAD(IL3,906)(RUNM1(4,IQ).ZQ=1,12)
READ (IL3, 906 XRUNM1 (5,ZQ),IQ=1 ,12)
READ
9061 FORMAT(8X.12P6.2)
C
C PRZNT ANNUAL ZNPUT DATA (MONTHLY PRBCIPITAION,CLIMATIC
C PARAMETERS, AND APPLZCATZON DATA)
C
718 WRITECIOW,722)1,(AMO(ZQ),ZQ=1,12)
722 FORMAT(I1I,1(/),1X,131(1-I>,/./,
*3(/>,25X,'YEAR-',12,2X,'MONTHLY ZNPUT PARAMETERS',/,25X,7('=')
*2X,24(' = ' ),/,/,/,
*18X.12(2X,A4,3X),/,/)
WRITE (ZOW, 706 >«CLIMM1 ( ZR, ZQ, Z ) , ZQ=1 ,12),IR=1,6)
WRITECIOW,719)<(CLZMM2(ZR,ZQ,Z).ZQ=1,12),IR=1,4)
706 PORMAT(/,/,6X,'— CLIMATIC PARAMETERS —',/,/,1X,
*•LATITUDE(DBG) ',T20,12G9.3./,1X,'TEMP.(DEC C) ',T20,1269.3,/,
*1X,'CLOUD CVR(FRAC.> ',T20.12G9.3,/.1X,'REL. HUMID.(FRAC.) ',
*T20,12G9.3,/,1X,'ALBEDO(-) ',T20,12G9.3,/,1X,
*'BVAPOT.(CM/DAY) ',T20,12G9.3)
719 FORMAT(/,1X,'PRBCIP.(CM) ',T20,1269.3,/,1X,
*'M.TIME RAIN(DAYS) ' ,T20,12G9.3,/,1X,
*'M. STORM NO.(-) ',T20,12G9.3,/,1X,
*'M. SBASON(DAYS) ',T20,1269.3)
WRITE(IOW,721HRUNM1(1,IQ),IQ=1,12),(RUNM1(2.IQ),ZQ=1,12),
*(RUNM1(3,IQ),ZQ=1,12),(RUNM1(4,IQ),IQ=1,12),
*(RUNM1(S.ZQ),ZQ=1,12)
721 FORMAT(5(/>,6X,'— RUN DATA-SET 1 —',/./,1X,'MOIS. CONC-UP.'
*,'(UG/ML)',T24,12G9.3,/,IX,'MOIS. CONC-MI.(UG/ML)',T24,12G9.3
*./,1X,'MOIS. CONC-LO.(UG/ML)',T24,12G9.3
*,/,1X,'POL. ZNP-U(UGXSQ.CM)',T2»,1269.3,
*/.1X,'POL. ZNP-M(U6/SQ.CM)',T24,1269.3)
WRITB(IOW,716)(RUNM1(6,ZQ),ZQ=1,12),(RUNM1(7,IQ),IQ=1,12)
716 PORMATdX.
*'POL. INP-L(U6/SQ.CM>',T24,1269.3,
*/,1X,'SUR. RUNOFF(1=Y,0=N)',T24,1269.3)
WRITE(IOW,717)(RUNM2(1,ZQ),IQ=1,12),(RUNM2(2,IQ),IQ=1,12),
*(RUNM2(3,IQ),ZQ=1,12>.(RUNM2(4,IQ),XQ=1,12),
*(RUNM2(5,IQ>,IQ=1,12)
717 FORMAT(/,/,6X,'— RUN DATA-SBT 2 —',/,/,1X,'CONC. IN RAIN(U6'
*,'/ML)',T24,1269.3,/,1X,'TRNSFORMBD-U(UG/SQ.CM)',T24,1269.3,
*/,1X,'TRNSFORMBD-M(U6/SQ.CM)',T24,1269.3,
*/.1X,'TRNSFORMBD-L(UG/SQ.CM)',T24,1269.3,
*/,1X.'SZNKS-U(U6/SQ.CM)',T24,1269.3)
-------
235
WRITE(IOW.715)(RUNM2(6,IQ),IQ=1,12),(RUNM2(7,IQ),IQ=1,12),
*(RUMM2(8,ZQ).ZQ=1,12).(RUNH2(9,IQ),ZQ=1,12),
*(RUNM2(10,IQ),IQ=1.12)
715 PORMATdX, ' SINKS-IK UG/SQ.CM) ' ,T24 , 1 2G9 . 3 , / , IX,
*'SINKS-L(UG/SQ.CM)'.T24,12G9.3./.1X,
*'LZG.ZMPUT-U(UG/SQ.CM)',T24,12G9.3./,1X.
*'LIG.INPUT-M(UG/SQ.CM)',T24,12G9.3,/,1X,
*'LIG.INPUT-L(UG/SQ.CM)',T24,12G9.3)
C
C RUN FOR HYDRO CYCLE FOR 1 YEAR
C
DO 720 ZMO=1,12
CALL HYDROMd.IMO)
C
C FIND SEDIMENT CONCENTRATION FOR BACH WATER BODY
C
IF(SEDLKB.EQ.YES.AND.LAKE.EQ.YES) CONSDL=SBDCL(IMO,I)
IF(SEDRIV.EQ.YES.AND.RIVER.BQ.YES) CONSDR=SBDCR(IMO,I)
IF(SBDLKB.BQ.NO.OR.SBDRIV.BQ.NO) CALL SBDCON(IMO,I)
IF(BSTU.BQ.YES) CONSDE=SBDCB(IMO,I)
IF(OCEAN.BQ.YES) CONSDO=SBDCO(IMO,I)
IF(WATBOD.BQ.YBS)CALL ALPHA(IMO,I)
C
C USE HYDROLOGIC CYCLE RESULTS TO CALULATB ANNUAL TOTALS AND
C AVERAGES
C
DO 200 J=1,10
HYDBAL(13,J)=HYDBAL(13,J)+HYDBAL(IMO,J)
200 CONTINUE
IF(IMO.BQ.12)HYDBAL(13,1)=HYDBAL<13,1)/12.
C
C PRINT HYDROLOGIC RESULTS
C
IF(IMO.LT.12)GO TO 800
WRITE(IOW,753) I
753 FORMAT('1•,5(/),25X,'YEAR -',12,2X,'MONTHLY RESULTS (OUTPUT)',/,
*25X,8('='),2X,2«('='),/,/)
WRITE(IOW.704)(AMO(IQ).IQ=1,12)
704 FORMAT(5(/),6X,'— HYDROLOGIC CYCLE COMPONENTS —',4(/>,
*18X,12(2X.A4.3X),/)
DO 120 K=1,12
120 HYDOUT(K)=HYDBAL(K,1)*100.
WRITE(IOW,751 XHYDOUT(IMN),IMN=1.12).((HYDBAL(IMN,IVAL),IMN=1,1 2),
*IVAL=2,5)
WRITE(IOW,752)((HYDBAL(IMN,IVAL),IMN=1,12),IVAL=6,8)
751 PORMATdX, 'SOIL MOISTURBC % ) • ,T20 ,1 2G9 . 3 , / ,
*1X.'PRBCIPATION(CM)',T20,12G9.3,/,
*1X,'NET INFILTR.(CM)',T20,12G9.3,/,
*1X,'BVAPOTRANSP.(CM)',T20,12G9.3,/,
*1X.'SURFACE RUNOFF(CM)',T20,12G9.3)
752 FORMAT(1X,'GRW RUNOFF(CM)',T20.12G9.3,/.
*1X,'YIELD (CM)',T20,12G9.3,/,/,
*1X,'RATIO PA/MPA(GZ)',T20,12G9.3)
C
C DO MONTHLY POLLUTANT CYCLE SIMULATION
C
-------
236
800 CONTINUE
DO 825 ISTBP=1.NSTBPS
IP(LAKE.NB.YES. AND.RIVER.NB.YES.AND.ESTU.NB.YES.AND.OCEAN.EQ.YES)
$ GO TO 600
C
C CALL AIR ROUTINE TO CALCULATE AIR CONCENTRATIONS; CONSIDERS INTERACTIONS
C BETWEEN AIR AND WATER AND BETWEEN AIR AND SOIL.
C
CALL AIR(IMO.I,ISTBP,NSTBPS,DT)
IPASS=1
IP(WATBOD.BQ.NO)GO TO 500
C
C
IF(LAKE.NB.YES) GO TO 300
SWMINL=SWMOUL
C
C CONVERT WBT ft DRY DEPOSITION PROM AIR TO SOIL PROM KG/M**2/SBC
C TO UG/CM**2/MON (NEXT TO LAKE)
C
ASMIDL=ASMIDL*2.592B11
ASMIWL=ASMIWL*2.592B11
IWATBR=1
C
C IWATBR = 1 SIGNIFIES LAKE
C
CALL TRANS3(I,IMO,ISTEP.NSTEPS.ASMIDL,ASMIWL,SURROP,
$ GRWROP,SAMOUL,ARL,IWATBR,IPAS S,CUMLKB,CLMLKB,
$ SUMLKB,SLMLKE,CUSALK,CLSALK,LIGCUL.LIGCLL.CMMLKB,
f SMMLKB.CMSALK.LIGCML)
IPASS=2
C
C CALCULATE SOIL TO WATER RATE ft CONVERT PROM MICRO-GRAMS/MON
C TO KG/SBC
C
SWMOUL=(SURROF+GRWROP)*3.8580247B-16
C
C CONVERT SOIL TO AIR RATE TO KG/SBC
C
SAMOUL=SAMOUL*3.8580247B-16
C
C
300 IP(RIVBR.NB.YBS) GO TO 400
SWMINR=SWMOUR
C
C CONVERT WBT ft DRY DEPOSITION PROM AIR TO SOIL PROM
C KG/M**2/SBC TO UG/CM**2/MON (NEXT TO RIVER)
C
ASMIDR=ASMIDR*2.592E11
ASMIWR=ASMIWR*2.592B11
IWATBR=2
C
C IWATBR=2 SIGNIFIES RIVER
C
CALL TRANS3(1,IMO,ISTEP.NSTBPS,ASMIDR,ASMIWR,SURROP,
$ GRWROF,SAMOUR,ARR,IWATBR,IPASS,CUMRIV,CLMRIV,
$ SUMRIV,SLMRIV,CUSARV,CLSARV,LIGCUR,LIGCLR,CMMRIV,
-------
237
$ SMMRIV,CMSARV,LIGCMR>
IPASS=2
C
C CALCULATE SOIL TO WATER RATE AND CONVERT PROM MICRO-GRAMS/MON
C TO KG/SBC.
C
SHMOUR=(SURROF+GRHROP)*3.8580247B-16
C
C CONVERT SOIL TO AIR RATE TO KG/SBC
C
SAMOUR=SAMOUR*3.8580247B-16
C
C
400 ZP(BSTU.NE.YES) GO TO 600
SHMZNB=SNMOUE
C
C CONVERT WET ( DRY DEPOSITION FROM AIR TO SOIL PROM
C KG/M««2/SEC TO UG/CM»*2/MON (NEXT TO ESTUARY)
C
ASMIDE=ASMIDB*2.592B11
ASMIWB=ASMIWE*2.592B11
IHATBR=3
C
C IHATBR = 3 SIGNIFIES ESTUARY
C
CALL TRANS3(1,IMO,ISTBP,NSTBPS,ASMIDE,ASMIHB,SURROP,
$ GRWROP,SAMOUB,ARE.IHATBR,IPASS,CUMEST,CLMBST,
$ SUMBST,SLMBST,CUSABS,CLSABS,LIGCUB,LIGCLB,CMMBST,
$ SMMBST.CMSABS.LIGCMB)
IPASS=2
C
C CALCULATE SOIL TO HATER RATE AND CONVERT PROM MICRO-GRAMS/MON
C TO KG/SBC.
C
SHMOUB=(SURROF+GRHROF)*3.8580247E-16
C
C CONVERT SOIL TO AIR RATE TO KG/SBC
C
SAMOUE=SAMOUE*3.85802Q7B-16
GO TO 600
500 CONTINUE
C
C NO HATER BODY CONSIDERED, ONLY AIR ( SOIL
C CONVERT HBT AND DRY DEPOSITION PROM AIR TO SOIL PROM
C KG/M**2/SBC TO UG/CM**2/MON
C
ASMIDS=ASMIDS*2.592B11
ASMIHS=ASMIHS*2.592B11
IHATBR=1
C
C IHATBR = 1 AND HATBOD = NO SIGNIFIES NO HATER BODY
C
CALL TRANS3(1,IMO,ISTEP,NSTBPS,ASMIDS,ASMIHS.SURROF,
$ GRWROP,SAMOUS.ARS,IHATBR,IPASS,CUMS,CLMS,
$ SUMS,SLMS,CUSAS,CLSAS,LIGCUS,LIGCLS,CMMS,SMMS,
$ CMSAS,LIGCMS)
-------
238
IPASS=2
C
C CONVERT SOIL TO AIR RATE TO KG/SEC
C
SAMOUS=SAMOUS*3.8580247B-16
GO TO 825
600 CONTINUE
C
C CALL WATER SUBROUTINE FOR CALCULATION OP WATER CONCENTRATIONS (BACH WATER
C BODY), C INTERACTION TERMS BETWEEN WATER i AIR
C
CALL WATER(IMO,I,DT.ISTEP,NSTBPS)
825 CONTINUE
C
C CALL POODCHAIN ROUTINE
C
CALL BIOCHN(IMO.I)
C
C OUTPUT RESULTS
C
CALL OUTPUT(IMO.I)
720 CONTINUE
C
C PRINT END MESSAGE
C
WRITB(IOW,805)
805 PORMAT(
-------
239
SUBROUTINE LINT(DI,ID1.IS,SO,VAL,IOW)
C
C THIS SUBROUTINE HAS BEEN CODED IN FORTRAN BY P.G. BAGLBSON
C (BAGLESON.1977)
C
C
C THIS FUNCTION PRFORHS A LINEAR INTERPOLATION WHEN CALLED FROM
C FUNTION FIKD.SO)
C
DIMENSION DI(10.U)
XX=SO-FLOAT(IS)*0. 1
Y1=DI(IS,ID1)
Y2=DI(IS+1,ID1)
VAL=(Y2-Y1>*10.*XX+Y1
RETURN
END
-------
240
C
c
C
c
c
c
c
c
c
c
c
c
c
c
c
SUBROUTINE RFILB
COMPILES USER INPUT DATA FROM DATA PILES
REAL NUT1.LOAD
COMMON /TI/ TITLES(5,12)
COMMON /EX/ JRUN,LEVEL,JRB,JSO,JCH,JNUT,JAPPL,JYRS
COMMON /HYM/ CLIMM1(6,12,10>,CLIMM2<6,12,10),CLIMM3C12,10>
COMMON /NU/ NUT1(6>
COMMON /SO/ SOIL1(6),SOIL2(6)
COMMON /CH/ CHBM1(18)
COMMON /AP/ GBOM(20),LOAD(6),RUNLO(6).RUNM1(10,12),RUHM2(10,12:
COMMON /HB/ HYDBAL(13,10)
COMMON /PI/ lOR.IOH.IGB.ILO.ILI,IL2.IL3
REAL LIGU.LIGM.LIGL.IA
COMMON /LBV2/PCONC(13,15,3),THM,LIGU.LIGL,LIGM
COMMON /HYR/ THA,PA,IA,ETA,RSA.RGA,YA,GZ,SIGMA,FGAM,G,XI
DIMBNS ION TITLE (12)', APPL ( 6 ) , A JUNK (12)
READ GENERAL DATA PILE
(CLIMATALOGICAL.SOIL, CHEMISTRY,AND NUTRIENT DATA)
READ SECTION TITLE
READ(IGB,901)NP,NTY.TITLE
CLIMATOLOGICAL DATA
100 READ(IGE,902)NP.NRB,TITLE,IYRS.ITY
IP(NP.BQ.2)GO TO 200
IP(NP.BQ.3)GO TO 300
IF(NF.BQ.4)GO TO 400
IP(NP.BQ.9)GO TO 900
IP NOT REGION SPECIFIED FOR THIS RUN, SKIP TO NEXT DATA SET
IF(NRE.NE.JRB)GO TO 150
WRITE(IOW,9021)HP,NRB,TITLE,IYRS,ITY
DO 110 1=1,12
110 TITLES(1,I)=TITLE(I)
C
c
c
READ CLIMATOLOGICAL DATA- LEVEL 2,3
130 DO 135 1=1 .IYRS
RBAD(IGB,906) (CLIMMK1 ,IQ,
READ(IGB,906) (CLIMM1 (2, IQ,
RBAD(IGB,906> (CLIMM1 ( 3 , IQ,
RBAD(IGB,906) (CLIMM1 ( 4 , IQ,
READ(IGB,906) (CLIMM1 (S.IQ,
RBAD(IGE,906) (CLIMM1 (6.IQ,
READ (IGB, 906) (CLIMM2M , IQ,
READ ( IGB . 906 ) ( CLIMM2 ( 2 , IQ ,
READ ( IGB . 906 ) ( CLIMM2 ( 3 , IQ ,
READ ( IGE . 906 ) ( CLIMM2 ( 4 . IQ ,
,IQ=
,IQ=
,IQ=
,IQ=
,IQ=
,IQ=
,IQ=
,IQ=
,IQ=
).IQ=
.12)
.12)
,12)
,12)
,12)
.12)
,12)
.12)
.12)
,12)
READ (IGB, 906 ) ( AJUNK( IQ) , IQ=1 .12)
135 CONTINUE
-------
241
GO TO 100
c
c
c
SKIP OVER
REGIONAL DATA SET
150 ZBND=ZYRS*11
IP ( I END . BQ . 0 ) IEND=4
DO 160 1=1 , IEND
C
C
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
READdGE,
160 CONTINUE
GO TO 100
SOIL DATA
200 CONTINUE
201 READdGE,
IFCNF.EQ.
IFCNF.EQ.
IFCNF.EQ.
904)
901 )NP.NSO, TITLE
3) GO TO 300
4) GO TO 400
9) GO TO 900
IP NOT SOIL TYPE SPECIFIED POR
SET
IFCNSO.NB
DO 210 1=
210 TITLBS(2.
READdGE,
READ ( IGE ,
GO TO 201
SKIP OVER
250 DO 260 1=
READ ( IGE ,
260 CONTINUE
GO TO 201
CHEMISTRY
300 CONTINUE
301 READdGE.
IFCNF.EQ.
IFCNP.EQ.
.JSO)GO TO 250
1.12
I)=TITLB(I)
903XSOIL1 (IQ),IQ=1 ,6)
903) (SOIL2(IQ) , IQ=1 ,6)
SOIL DATA SET
1,2
904)
DATA
901 )NP,NCH, TITLE
4)GO TO 400
9)GO TO 900
IP NOT CHEMICAL SPECIFIED FOR T
DATA SET
THIS RUN, SKIP TO NEXT SOIL DATA
THIS RUN, SKIP TO NEXT CHEMICAL
IP(NCH.NB.JCH)GO TO 350
DO 310 1=1,12
310 TITLBS(3,I)=TITLB(I)
READdGE,903) (CHBM1 (IQ) ,IQ=1 ,6)
READ(IGE,903)(CHEM1(IQ),IQ=7,12)
READ(IGE,903)(CHBM1(IQ),IQ=13,18)
GO TO 301
C
C SKIP OVER CHEMICAL DATA SBT
C
-------
242
350 DO 360 1=1,3
READ(IGE,904)
360 CONTINUE
GO TO 301
C
C NUTRIENT DATA
C
400 CONTINUE
401 READ(IGE.901>NF.NNU,TITLE
IP(NF.EQ.9)GO TO 900
C
C IF NOT NUTRIENT SET SPECIFIED FOR THIS RUN. SKIP TO NEXT
C NUTRIENT DATA SET
C
IF(NNU.NE.JNU)GO TO 450
DO 410 1=1,12
410 TITLES(4,I)=TITLE(I>
RBAD(IGE,903)(NUT1(IQ),IQ=1,6)
GO TO 401
C
C SKIP OVER NUTRIENT DATA SET
C
450 RBAD(IGB,904>
GO TO 401
C
C READ APPLICATION DATA FOR LEVEL OF THIS RUN
C
900 IF(LEVEL.EQ.3)GO TO 1300
C
C LEVEL 3
C
1300 READ(IL3,902)NF,NTY,TITLE,IYRS
IF(NF.BQ.9)GO TO 999
C
C IF NOT APPLICATION SPECIFIED FOR THIS RUN. SKIP TO NEXT
C APPLICATION DATA SET
C
IF(NTY.NE.JAPPL)GO TO 1350
DO 1310 1=1,12
1310 TITLBS(5,I)=TITLB(I)
RBAD(IL3,903)(APPL(IQ).IQ=1.6)
GBOMM )=APPL(1 )
GBOM(2)=APPL(2)
GBOM(3)=APPL(3>
GBOM(4)=APPL(4>
GBOM(14)=APPL(5)
READ(IL3.903)(APPL(IQ),IQ=1.6)
GBOM(15)=APPL(1)
GEOM(16)=APPL(2)
GBOM(17>=APPL(3>
RBAD(IL3,903)(APPL(IQ),IQ=1,6)
GBOM(6)=APPL(1>
GBOH(9)=APPL(2)
GBOM(7)=APPL(3)
GBOM(10)=APPL(4)
GBOM(8)=APPL(5)
-------
243
c
c —
c
1350
GBOMC
RBADC
GBOMC
GBOMC
READC
RBADC
RBADC
RBADC
READC
RBADC
READC
RBADC
READC
RBADC
READC
RBADC
RBADC
RBADC
RBADC
READC
RBADC
GO TO
SKIP
1 1 ) =APPL C 6 )
ZL3.903HAPPLCIQ)
1 8 ) =APPL C 1 )
,IQ=1,6)
19)=APPLC2>
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3,
ZL3.
ZL3,
ZL3,
999
OVER
906
906
906
906
906
906
906
906
906
906
906
906
906
906
906
906
906
HRUNM1 C
HRUNM1C
HRUNM1 (
HRUNM1 (
) CRUNM1 (
XRUNM1 (
)CRUNM1 (
)CRUNM2(
)CRUNM2C
) C RUNM2 C
> C RUNM2 C
> C RUNM2 C
)(RUNM2(
) C RUNM2 C
) C RUNM2 C
HRUNM2C
HRUNM2C
1.
2,
3.
4,
5,
6,
7,
1,
2,
3,
4,
5.
6,
7,
8.
9,
10
OTHER LEVEL 3
ZPCZYRS.LB.O
)ZYRS=1
IQ),
IQ) ,
ZQ),
ZQ),
IQ),
IQ) ,
IQ),
IQ),
IQ>,
IQ).
ZQ),
IQ),
IQ).
ZQ),
ZQ),
ZQ),
.ZQ)
ZQ=
IQ=
IQ=
IQ=
ZQ=
IQ=
IQ=
IQ=
IQ=
ZQ=
ZQ=
ZQ=
ZQ=
ZQ=
IQ=
IQ=
9
9
9
9
r
*
9
9
9
9
9
9
9
9
9
9
,IQ=1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
,
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
2)
12)
PZLBS
ZEND=21 + C CZYRS-1)*17)
DO 1360 1=1,IEND
RBADCIL3,904)
1360 CONTINUE
GO TO 1300
C
C
c
999
C
901
902
9011
9021
903
9031
904
906
9061
RETURN TO MAIN PROGRAM
RETURN
PORMATCZ1,1X.I3.1X,12A4)
PORHATCZ1,1X.I3,1X.12A4.2I5)
FORMAT(1X,I1,1X.I3.1X.12A4)
PORMATC1X.Z1,1X,13,1X.12A4,215)
PORMATC38X.6P7.2)
PORMATC38X.6G7.2)
PORMAT C1X)
FORMAT(8X.12F6.2)
PORMAT C 8X,12P6.2)
BND
-------
244
C
C
C
C
C
C
C
C
C
C
C
SUBROUTINE TRAMS3(IYR,IMO,ISTBP,NSTEPS,ASHIND,ASMZMH,SURROF,
$ GRHROP,SAMOUT,ARSPLU,ZWATBR,ZPASS,CUM,
$ CLM,SUM,SLM,CUSA,CLSA,LIGCU,LIGCL,CMM,SMM,
$ CHSA,LZGCH)
C
C
C
THZS SUBROUTZNE ESTIMATES THE MONTHLY POLLUTANT MASS DZSTRZBUTZON
ZN A SOZL COMPARTMENT,CONSZSTZNG OP 3 SOZL LAYERS.
SZMULATZON STARTS WITH THE MONTH OP OCTOBER. CONCENTRATIONS AT
THE BEGINNING OF THE SIMULATION (IB THE COLUMN DOBS NOT START
CLEAN) CAN BE INPUT.
THE THEORETICAL BACKGROUND IS DESCRIBED IN APPENDIX PT.
REAL NUT1.LOAD
COMMON /TI/ TITLES(5,12)
COMMON /EX/ JRUN.LEVEL,JRE.JSO,JCH,JNUT.JAPPL,JYRS
COMMON /HYM/ CLIMM1<6,12,10),CLIMM2<6,12,10>,CLIMM3<12,10)
COMMON /NU/ NUTK6)
COMMON /SO/ SOIL1(6),SOIL2(6)
COMMON /CH/ CHBM1(18)
COMMON /AP/ GEOM(20)(LOAD(6),RUNLO(6),RUNM1(10,12).RUNM2(10,12)
COMMON /HB/ HYDBAL(13.10)
COMMON /PI/ IOR.IOW,IGE,ILO,IL1 .IL2.IL3
REAL LIGU.LIGM.LIGL.IA
COMMON /LEV2/PCONC(13,15,3),THM,LIGU,LIGL,LIGM
COMMON /HYR/ THA,PA,IA.BTA,RSA,RGA,YA.GZ,SIGMA,PGAM.G.XI
COMMON/FLAGS/AIRFLG,AIRPOL,TRICON,LAKE,RIVER,
$ BSTU,OCEAN,SBDRIV,SBDLKB,DISFLG,CHMPLG,HATBOD
COMMON/OUT/ACMAXL,AVAIRL,AVAIRR,AVAIRB,AWDEPL,ANDBPR,AWDEPB,
ASDBPL,ASDEPR,ASDEPE,WVOLAL,HVOLAR,HVOLAB,SVOLAL,
SVOLAR.SVOLAB,SWSURL,SWSURR,SWSURB,SHGRHL,SWGRWR,
SHGRHE,SCONUL,SCONUR,SCONUB,SCONLL,SCONLR,SCONLE,
CONL1.CONL2.CONL3.CONR1(20),CONR2(20),CONR3(20),
CNCBD1(11),CNCBD2(11),CNCBD3(11),CNCBU1(11),CNCBU2(11),
CNCEU3M1 ) ,XBSTY<1 1 ) ,CONO1 (10) ,CONO2( 1 0 ) ,CON03 (1 0 ) ,
RESUSB,WASHL,WASHR,WASHE,ACMAXR.ACMAXE,ACMAXS,
AVAIRS.ASDBPS,SVOLAS,SWGRWS,SCONUS,SCONLS.RESUSS,
RESUSL,RBSUSR,SCONML,SCONMR,SCONME,SCONMS,SWSURS,
HASHS.ARBA1(3)
DIMENSION POLBALC13,45,3),PINP(13,6,3)
DIMENSION AMOM2) ,PINPUC3) ,PINPL(3) ,PINPM(3) ,ARBA(3)
REAL IM,KOC,MP,KDB,MPL,MPL1,MPO,MPLO,ISRM,INT, N,
$MWT,KNH,KBH,KAH,KTU,KTL,
$MWTLIG,MWTML,NI,K1,K1Z,K1U,K1L,KU,KL,K,LZGCU1,LIGCL1,
SLIGCUF,LZGCLF.ZMDU,KDBL,LZGCM,LZGCMF,KM,KDBM,K1M,ZMDM,
$MP2,MP2O,KTM,LIGCM1,LIGCU,LIGCL, K2
REAL NO
DATA AMO/' OCT' , ' NOV.1 DEC',' JAN',' PBB' , ' MAR',
*' APR1,1 MAY1,1 JUN1,1 JUL1,1 AUG1,1 SEP1/
DATA ISKIP/1/.NO/QH NO/
INZTZALZZB ARRAYS (SET ALL PLACES TO 0.0)
IP(IMO.GT.1.OR.ISTBP.GT.1)GO TO 50
-------
245
DO 5 1=1,13
DO 6 J=1,45
6 POLBAL(I,J,IWATBR)=0.0
DO 7 J=1,6
7 PINP(I,J,IHATBR)=0.0
5 CONTINUE
DO 8 J=1,15
8 PCONCM3, J,IWATER)=0.0
LIGCUP=PCONC(12,10.IWATER)
LIGCHF=PCONC(12,11,IWATER)
LZ6CLF=PCONC(12,12,IWATER)
C
C CALCULATE ANNUAL PRECIPITATION MPASUH
C
HPASUH=0.
DO 9 IMON=1,12
9 HPASUN=HPASUM+CLIMM2(1,IHON,IYR)
C
C CONVERT HPASUM TO INCHES
C
HPASUH=MPASUH*0.3937
C
C CALCULATE SOIL EROSION 6 IN GRAMS OP SOIL/M**2/YEAR
C
GWASH=7.0*(HPASUM**2.3 >/(1.0+0.0007*(MPASUM**3.3))
C
C CONVERT TO UNITS OF GRAMS/CM**2/MONTH
C
GWASH=GWASH/(12.0*1.OE4)
C
C COMPILE GEOMETRY DATA
C
10 IFdYR.GT.1 .OR.IMO.GT.1 .OR. ISTEP . GT. 1 .OR. IPASS .GT. 1 )GO TO 50
AR = GEOM(1)
Z = GEOM(2)*100.
DU = GEOMC3)
DM = GBOMC4)
A2KDB= GEOMC6)
A20C = GBOMC7)
A2CC = GBOMC8)
AKDE= GBOMO)
AOC = GBOM(10)
ACC = GEOM(11)
FRN = GEOM(14)
PH = GBOM(15)
A2PH = GBOM(16)
APH = GEOM(17)
IF(PH.BQ.0.0)PH=7.0
IF(A2PH.BQ.O.O)A2PH=1.0
IF(APH.BQ.O.O)APH=1.0
A2CEC= GEOMM8)
ACBC= GBOM(19)
DO 11 1=1,3
11 ARBA(I)=0.0
C
C COMPILE SOIL PARAMETERS
-------
246
RS = SOZL1(1)
K1 = SOZL1(2)
C = SOIL1(3)
N = SOZL1(4)
OC = SOZL1(5)
CC = SOIL1(6)
CBC= SOIL2M )
K1U= SOIL2(2)
K1M= SOIL2O)
K1L= SOIL2(4>
RDUST=SOIL2(5)
C
C SEDIMENT AND HIND SUSPENSION ROUTINES YET TO BE INCORPORATED
C
SBDM=0.
DUSTM=0.
C
C COMPILE CHEMISTRY DATA
C
SL = CHEM1(1)
KOC = CHBM1(2)
DA = CHBM1(3)
KDE = CHBM1(4)
H = CHBM1(5)
K = CHEM1(6)
MWT = CHBM1(7)
VAL = CHBM1(8)
KNH = CHEM1(9 >
KBH = CHBM1(10)
KAH = CHEM1(11)
SK = CHBM1(13)
B = CHBM1(14)
MWTLIG= CHEM1M5)
C
C SET CONSTANTS
C
R=8.2056B-5
DT=30.
NI=PLOAT(NSTBPS)
C
C SET INITIAL CONCENTRATIONS
C
DPTH=DU
LIGU=0.0
LIGM=0.0
LIGL=0.0
C
C SUPPORTING EQUATIONS:
C
C EQUATIONS FOR LOWER ZONES
C
55 PHL=APH*PH
OCL=OC*AOC
CBCL=CBC*ACBC
KDBL=KDE*AKDB
-------
247
DL=Z-(DU+DM>
PHM=A2PH*PH
OCH=OC*A20C
CBCM=CBC*A2CEC
KDBM=KD8*A2XDB
C
C CALCULATE K FOR ORGAMICS
C
KU=K
KM=K
KL=K
ZP(KU.NB.O.)6O TO 16
KU=KOC*OC/100.
KM=KOC*OCM/100.
KL=KOC*OCL/100.
C
C CALCULATE AVERAGE PERMEABILITY (IP NECESSARY)
C
16 K1Z=K1
IP(K1Z .MB. 0.0 )GO TO 20
C
C DIFPEREHT PERMEABILITIES INPUT POR BACH ZONE,CALCULATE AVB. PERM.
C
K1Z=(DU+DM+DL)/< ( DU/K1U> + (DM/K1M) + < DL/K1J.) )
GO TO 17
C
C SAME PERMEABILITY ENTERED FOR BACH ZONE
C
20 K1U=K1Z
K1M=K1Z
K1L=K1Z
C
C CALCULATE TOTAL CATION EXCHANGE CAPACITY OF THB SOIL
C
17 TCECU=0.0
TCECM=0.0
TCECL=0.0
IF(VAL.EQ.O)GO TO 18
TCECU=t(CBC*MHT/VAL)*10.)*OU*RS
TCECM=((CBCM*MHT/VAL > * 10.)*DM*RS
TCBCL=((CBCL*MWT/VAL > * 10.> *DL*RS
C
C CALCULATE MOLECULAR HEIGHT OF COMPLEX
C
18 MWTML=MWT+B*MHTLIG
C
C CALCULATE HYDROLYSIS CONSTANTS
C
KTU=0.0
KTM=0.0
KTL=0.0
IFCKNH+KAH+KBH .BQ. 0.0) GO TO 21
KTU=KNH+KAH*(10.**<-1.*PH))+KBH*(10.**(-1.*(14.-PH)))
KTM=KNH+KAH»(10.**<-1.*PHM))+KBH*<10.»*(-1.*(1«.-PHM)))
KTL=KNH+KAH*(10.**(-1.*PHL))+KBH*(10.**(-1.*(14.-PHD »
-------
248
c —
c
21
C
c —
c
50
C
308
C
C
c
c
c —
c
c
c —
c
c
c —
c
SET DEPTHS FOR VOLATILIZATION ROUTINE
VOLDU=DU/2.
VOLDM=DU+DM/2.
VOLDL=DU+DM+DL/2 .
RUN FOR 12 MONTHS
CONTINUE
HRITB(9,308)IYR,AMO(IMO> , IMO
FORMATMX, 'YEAR' ,15, 5X, 'MONTH1 ,A4,2X,I2>
COMPILE MONTHLY HYDROLOGIC PARAMETERS
IFdSTBP.GT.1 .OR.ISKIP.GT.1 )GO TO HO
THM1 = HYDBAL ( IMO , 1 )
PM = HYDBAL (IMO, 2)
IM = HYDBAL (IMO, 3)
EM = HYDBAL (IMO, 4)
RSM = HYDBAL (IMO, 5)
RGM = HYDBAL ( IMO , 6 )
COMPILE MONTHLY APPLICATION DATA ( LOADING, SURFACE
POLINU = RUNM1 ( 4 , IMO )
POLINM = RUNM1(5,IMO)
POLINL = RUNMK6.IMO)
ISRM = RUNM1 (7, IMO)
TA = CLIMM1 (2,IMO,IYR)
COMPILE SECONDARY MONTHLY INPUT DATA
ASL= RUNM2(1,IMO)
TRANSU = RUNM2 ( 2 , IMO ) /NI
TRANSM = RUNM2 ( 3 , IMO ) /NI
TRANSL = RUNM2 ( 4 , IMO ) /NI
SINKU = RUNM2 ( 5 , IMO ) /NI
SINKM = RUNM2(6,IMO)/NI
SINKL = RUNM2(7,IMO)/NI
ESTIMATE LOWER UNSZO INFILTRATION
RUNOFF,ETC.)
K2=(DU+DM)/((DU/K1U)+(DM/K1M))
IMDU=(RGM+(IM-RGM>*( (DM+DD/Z) )*(K1U/K1Z)
IMDM=(RGM+(IM-RGM)*(DL/Z))*(K2/K1Z)
ISKIP=2
40 CONTINUE
IF(ISTBP.EQ.NSTBPS >ISKIP=1
IFdPASS.GT.1 )GO TO 45
LIGU=LIGU+RUNM2(8,IMO)/NI
LIGM=LIGM+RUNM2(9,IMO)/NI
LIGL=LIGL+RUNM2(10,IMO)/NI
C
C CALCULATE LIGAND CONCENTRATION FROM LIGAND MASSES
C
LIGCU1=LIGU/(DU*THM1)
-------
249
LIGCM1=LIGM/(DM*THM1 )
LIGCL1=LIGL/(DL*THM1)
C
C SEE IP GROUNDWATER CONTAMINATION IS POSSIBLE(I.B. IF ANY SURFACE
C WATER PROM THIS SIMULATION REACHES THE GROUNDWATER THIS MONTH)
C IF NOT SET GROUNDWATER RUNOFF TO ZERO FOR THIS MONTH'S
C POLLUTANT CYCLE
C
DPTH=DEPTH(THM1,N,IM,RGM,DPTH,NI)
IP(DPTH.LE.Z)RGM=0.0
C
C ITERATIVE SOLUTION OF EQUATION SYSTEM -UPPER LAYER
C
C SET UP ITERATION PARAMETERS
C
45 CONTINUE
LAYER=1
IFIG=0
ISIG=0
INT=1.B8
SVCUM1=0.0
CUM1=0.0
C
C TO START WITH A DIRTY SITE, LOAD CUM AND CLM
C
IF(CUM.EQ.0.)CUM=RUNM1(1,IMO)
IFCCMM.EQ.O.)CMM=RUNM1(2,IMO)
IF(CLM.EQ.0.)CLM=RUNM1(3,IMO)
C
C SOLVE EQUATION SYSTEM-UPPER LAYER
C
PINU=POLINU/NI + ASMIND/NI + ASMINW/NI
PTHERU=CUM*THM*DU + SUM*RS*DU + CUSA*(N-THM)*DU + COMPCCUM.
1 MWT,SK,LIGCU,MNTLIG,B.THM,DU)
C
C CALCULATE AMOUNT INVOLVED IN CEC
C
IF(TCECU.GE.(PINU+PTHBRU)>PCECU=PINU+PTHERU
IF(TCBCU.LT.(PINU+PTHERU))PCECU=TCECU
PHYDCU = PCECU*KTU*30./NI
IFCPHYDCU .GT. PCECU)PHYDCU=PCECU
PCECU=PCBCU-PHYDCU
C
C CHECK VALID ENTRIES FOR OTHER SINKS AND TRANS
C
IFCSINKU+TRANSU .LB. PINU+PTHERU-(PCBCU+PHYDCU))GO TO 200
SINKU=0.0
TRANSU=0.0
WRITE(IOW,806)IYR,IMO,ISTEP
806 FORMAT(/,1X,'***WARNING- YEAR',15,' MONTH',15,' ITBRATION=',IS,
*':',/,' INSUFFICIENT',
*' POLLUTANT MASS FOR',/,' SPECIFIED SINKS AND TRANSFORMATIONS',
*' IN UPPER ZONE',/,
*' OTHER SINKS SET TO ZERO,OTHER TRANSFORMATIONS SET TO ZERO')
C
C MASS BALANCE EQUATION
-------
250
c
200 PREMU=THM1*CUM1*DU + CUM1**(1./PRN)*KU*RS*DU + PCBCU +
1COMP(CUM1,MNT,SK,LXGCU1.MWTLIG,B.THM1,DU) +
2(CUM1*H*DU*(N-THM1))/(R*(TA+273.))
POUTU = CUM1*RSM*ISRM/NZ +
VOLM(0.,CUM1,H,R,TA,VOLDU,DA,N,THM1,NZ) +
CUM1*ZMDU/NZ + SZNKU +
(CUM1**(1.XPRN)*KU+PCBCU/(RS+DU))*GWASH/MZ
PTRAMU=CUH1*THH1*DU*XTU*30./HI
+ CUM1**(1./PRN)*DU*RS*KTU*KU*30./NZ
+ CUM1*DU*THH1*KDB*30./MZ
+ PHYDCU + TRANSU
C
C CONVERGENCE CRZTBRZA :BASED ON HP
C
HP = PZNU+PTHERU-PRBMU-POUTU-PTRANU
C
C PZRST TZMB THROUGH (CHECK POR SPBCZAL CASB OP CLEAN COLUMN)
C
ZP(CUHI) 300,300,305
300 HPO=MP
ZP(ABS(MP).BQ. 0.00)GO TO 400
SVCUH1=CUM1
CUM1=.CUM1+ZNT
GO TO 200
C
C TEST POR CONVBRGBNCB
C
305 AHP=ABS(MP)
C
C CONVBRGBNCB CRZTBRZON 1, ZS EQUATZON BALANCED WITHIN IX
C
ZP(AMP.LT.1.B-8) GO TO 400
C
C CONVERGENCE CRZTERZON 2, HAS ZT CROSSED THE ORIGIN(OVERSHOT)
C
ZP((HP*MPO).LT.O) GO TO 402
C
C CONVBRGBNCB CRZTBRZON 3, ZS ZT GOZNG ZN WRONG DZRECTZON (Z.B.
C COLUMN HAS BECOME CLEAN ZN THZS MONTH)
C
ZP(ABS(MPO).LT.ABS(MP))GO TO 401
C
C NOT CONVERGED
C
IPIG=1
SVCUM1=CUM1
CUM1=CUM1+ZNT
GO TO 200
C
C CROSSED ORIGIN, TRY SMALLER INTERVAL
C
402 ZF(ZPZG .BQ. 0) GO TO 410
ZSZG=ZSZG+1
IP(ZSZG.EQ.6)GO TO 409
410 ZNT=ZNT/10.
-------
251
IFdNT.LT. 1.B-16) GO TO 409
CUM1=SVCUM1+INT
GO TO 200
C
C SPECIAL CASE ALL POLLUTANT LEAVES THIS MONTH
C
401 CUM1=0.
GO TO 400
C
C STOP WHEN INTERVAL IS VERY SHALL,(I.E. CONCENTRATRATION IS
C CALCULATED TO WITHIN NUMERICAL ACCURACY OP THE MACHINE)
C
409 CUM1=SVCUM1
C
C FINAL CONVERGENCE OP UPPER LAYER-CALCULATE OTHER CONCENTRATIONS
C
400 SUM1=(CUM1**(1./PRN)*DU*RS*KU + PCECU)/(RS*DU)
CUSA1=(CUM1*H)/(R*(TA+273.>)
IF(MHT.EQ.O.O)GO TO 495
LIGCUF=(LIGCU1*DU*THM1 - B*COMP(CUM1.MWT,SK.LIGCU1.MWTLIG,B,THM1 .
1DU )*(MHTLIG/MWT))/(DU*THM1)
IFCLIGCUF.LT.O.>LIGCUF=0.0
C
C ITERATIVE SOLUTION OP EQUATION .SYSTEM -MIDDLE LAYER
C
C SET UP ITERATION PARAMETERS
C
495 LAYER=2
IPIG=0
ISIG=0
INT=1.B8
SVCMM1=0.0
CMM1=0.0
C
C SOLVE EQUATION SYSTEM-MIDDLE LAYER
C
PINM=POLINM/NI + CUM1*IMDU/NI
PTHBRM=CMM*THM*DM + SMM*RS*DM + CMSA*(N-THM)*DM + COMP(CMM,MWT,SK,
1 LIGCM,MWTLIG,B,THM,DM)
C
C CALCULATE AMOUNT INVOLVED IN CBC
C
IP(TCBCM.GB.(PINM+PTHBRM))PCBCM=PINM+PTHBRM
IF(TCBCM.LT.(PINM+PTHBRM))PCECM=TCECM
PHYDCM = PCECM*KTM*30./NI
IF(PHYDCM .GT. PCECM)PHYDCM=PCECM
PCBCM=PCBCM-PHYDCM
C
C CHECK THAT VALUES ENTERED FOR OTHER SINKS AND TRANS ARE VALID
C
IF(SINKM+TRANSM .LB. PINM+PTHBRM-(PCBCM+PHYDCM))GO TO 500
SINKM=0.0
TRANSM=0.0
WRITE(IOW,808)IYR,IMO,ISTBP
808 FORMAT(/,1X,'***WARNING- YEAR',IS,' MONTH'.15,• ITBRATION=',15,
*':',/,' INSUFFICIENT1,
-------
252
*' POLLUTANT MASS FOR1,/,' SPECIFIED SINKS AND TRANSFORMATIONS',
*' IN MIDDLE EONS',/,
*' OTHER SINKS SET TO ZERO,OTHER TRANSFORMATIONS SET TO ZERO')
C
C MASS BALANCE EQUATION
C
500 PREMM=THM1*CMM1*DM + CMM1**(1./FRN)*KM*RS*DM + PCBCM +
1COMP(CMM1,MWT,SK,LIGCM1,MHTLIG,B,THM1,DM) +
2(CMM1*H*DM*(N-THM1 ) ) /(R*(TA+273.))
POUTM = CMM1*IMDM/NI +
VOLMCCUM1,CMM1,H,R.TA,VOLDM,DA,N,THM1,NI) +
SINKM
PTRANM=CMM1*THM1*DM*KTM*30. /HI
+ CMM1**(1./FRN)*DM*RS*KTM*KM*30./NI
+ CMM1*DM*THM1*KDEM*30./NI
+ PHYDCM + TRANSM
C
C CONVERGENCE CRITERIA :BASED ON MP2
C
MP2= PINM+PTHBRM-PREMM-POUTM-PTRANM
C
C FIRST TIME THROUGH (CHECK FOR SPECIAL CASE OF CLEAN COLUMN)
C
IF(CMM1) 505,505,510
505 MP20=MP2
IF(ABS(MP2).LT. 1.E-4)GO TO 590
SVCMM1=CMM1
CMM1=CMM1+INT
GO TO 500
C
C TEST FOR CONVERGENCE
C
510 AMP2=ABS(MP2)
C
C CONVERGENCE CRITERION 1, IS EQUATION BALANCED WITHIN IX
C
IFCAMP2.LT.0.01) GO TO 590
C
C CONVERGENCE CRITERION 2. HAS IT CROSSED THE ORIGIN(OVERSHOT)
C
IF((MP2*MP2O).LT.O) GO TO 585
C
C CONVERGENCE CRITERION 3, IS IT GOING IN WRONG DIRECTION (SPECIAL
C CASES)
C
IF(ABS(MP2O).LT.ABS(MP2))GO TO 580
C
C NOT CONVERGED
C
IFIG=1
SVCMM1=CMM1
CMM1=CMM1+INT
GO TO 500
C
C CROSSED ORIGIN, TRY SMALLER INTERVAL
C
-------
253
585 IPdPIG .EQ. 0) GO TO 575
ISIG=ZSZG+1
ZF(ISZG.BQ.6)GO TO 570
575 INT=INT/10.
ZFdNT.LT. 1.E-8) GO TO 570
CMM1=SVCMM1+INT
GO TO 500
C
C SPECIAL CASE:
C ALL POLLUTANT LEAVES THZS MONTH
C
580 CMM1=0.
GO TO 590
C
C STOP WHEN ZNTERVAL ZS VERY SMALL,(Z.E. CONCENTRATRATZON ZS
C CALCULATED TO HZTHZN NUMERICAL ACCURACY OF THE MACHZNB)
C
570 °CMM1 =SVCMM1
C
C FINAL CONVERGENCE OF MZDDLE LAYER-CALCULATE OTHER CONCENTRATIONS
C
590 SMM1=(CMM1**(1./FRN)*DM*RS»KM + PCECM)/(RS*DM)
CMSA1=(CMM1*H)/(R*(TA+273.))
ZF(MWT .EQ. 0) GO TO 599
LIGCMF=(LIGCM1*DM*THM1 - B*COMP)PCBCL=TCBCL
PHYDCL = PCBCL*KTL*30./NI
IFCPHYDCL .GT. PCECL)PHYDCL=PCBCL
PCBCL=PCECL-PHYDCL
C
C CHECK VALZD ENTRIES FOR OTHER SINKS AND TRANS
C
IF(SINKL+TRANSL .LB. PINL+PTHBRL-(PCBCL+PHYDCL))GO TO 600
-------
254
SINKL=0.0
TRANSL=0.0
WRITE(IOW,807)IYR,IMO,ISTEP
807 FORMAT(/,1X,'***WARNING- YEAR',IS,' MONTH',15,' ITBRATZON=',15,
*':•,/.• INSUFFICIENT1,
*' POLLUTANT MASS FOR1,/,' SPECIFIED SINKS AND TRANSFORMATIONS',
*' IN LOWER ZONE',/,
*' OTHER SINKS SET TO ZERO,OTHER TRANSFORMATIONS SET TO ZERO')
C
C MASS BALANCE EQUATION
C
600 PRBML=THM1*CLM1*DL + CLM1**(1./FRN)*KL*RS*DL + PCECL +
1COMPCCLM1,MWT,SK.LI6CL1.MNTLIG,B,THM1,DL) +
2(CLM1*H*DL*(N-THM1))/(R*(TA+273.))
CMAX=AMAX1(CUM1,CMM1>
POUTL = CLM1*RGM/NI
+ VOLM(CMAX,CLM1,H,R,TA,VOLDL,DA,N,THM1,NI)
-I- SINKL
PTRANL=CLM1*THM1*DL*KTL*30./NI
+ CLM1**(1./FRN)*DL*RS*KTL*KL*30./NI
+ CLM1*DL*THM1*KDBL*30./NI
+ PHYDCL + TRANSL
C
C CONVERGENCE CRITERIA :BASED ON MPL1
C
MPL1 = PINL+PTHERL-PREML-POUTL-PTRANL
C
C FIRST TIME THROUGH, (CHECK FOR SPECIAL CASE OF CLEAN COLUMN)
C
IFCCLM1) 333,333,334
333 MPLO=MPL1
IF(ABS(MPL1).LT. 1.E-4) GO TO 444
CLM1=CLM1+INT
GO TO 600
C
C TEST FOR CONVERGENCE
C
334 AMPL=ABS(MPL1)
C
C CONVERGENCE CRITERION 1, IS EQUATION BALANCED WITHIN IX
C
IP(AMPL.LT.0.01) GO TO 444
C
C CONVERGENCE CRITERION 2, HAS IT CROSSED THE ORIGIN(OVERSHOT)
C
IF(MPL1*MPLO.LT.O.) GO TO 446
C
C CONVERGENCE CRITERION 3, IS IT GOING IN WRONG DIRECTION (I.E.
C COLUMN HAS BECOME CLEAN IN THIS MONTH)
C
IF(ABS(MPLO).LT.ABS(MPL1))GO TO 443
C
C NOT CONVERGED
C
IPIG=1
SVCLM1=CLM1
-------
255
CLM1=CLM1+INT
GO TO 600
C
C CROSSED ORIGIN, TRY SMALLER INTERVAL
C
446 IFdFIG .EQ. 0) GO TO 450
ISIG=ISIG+1
IF(ISXG.BQ.6> GO TO 447
450 INT=INT/10.
IPdNT.LT. 1 .B-8) GO TO 447
CLM1=SVCLM1+INT
GO TO 600
C
C SPECIAL CASE ALL POLLUTANT LEAVES THIS MONTH
C
443 CLM1=0.
IF(RGM.EQ.O)GO TO 444
PXNFL=PXNL+PTHERL
GO TO 444
C
C STOP WHEN INTERVAL IS VERY SMALL
C
447 CLM1=SVCLM1
C
C FINAL CONVERGENCE OF LOWER LAYER-CALCULATE SOIL CONCENTRATIONS
C
444 SLM1=(CLM1**(1./FRN)*DL*RS*KL + PCBCL)/(RS*DL)
CLSA1=(CLM1*H)/(R*(TA+273.))
IFCMHT .EQ. 0.0)GO TO 499
LIGCLF=(LIGCL1*DL*THM1 - B*COMP(CLM1,MWT,SK,LXGCL1,MWTLIG,B,THM1 .
1DL)*(MWTLIG/MWT))/(DL*THM1)
IF(LIGCLF .LT.O.)LIGCLF=0.0
499 CONTINUE
C
C CALCULATE AND STORE MONTHLY POLLUTANT MASS DISTRIBUTIONS
C
C DEPTOT IS TOTAL DEPOSITION FROM DRY C WBT DEPOSITION AND
C DIRECT APPLICATION (POLINU)
C
DEPTOT=ASMIND+ASMINW+POLINU+POLINM+POLINL
IF(DEPTOT.BQ.O.O)GO TO 502
DBPRAT=(ASMIND+ASMINW)/DBPTOT
PINRAT=(POLINU+POLINM+POLINL)/DBPTOT
C
C AR IS AREA OF DIRECT APPLICATION, ARSPLU IS ARBA OF SOIL AFFECTED
C BY DEPOSITION, ARBASP IS WEIGHTED ARBA
C
AREASP=AR*PINRAT+ARSPLU*DEPRAT
GO TO 504
502 ARBASP=AR
IF(ARBASP.BQ.0.0)ARBASP=ARSPLU
504 CONTINUE
ARSPLU=ARBASP
IF(ARSPLU.BQ.O.O)GO TO 506
AREA(IWATBR > =ARSPLU
GO TO 508
-------
256
506 ARSPLU=AREA(IWATER)
508 CONTINUE
PZNP(ZMO,1,IWATBR)=PZNP(IMO.1,IWATER)+ARSPLU*ASMZNH/NZ
PZNP(ZMO,2,IWATER)=PZNP(ZMO,2.IWATER)+AR*POLINU/NZ+ARSPLU*
$ ASMZND/NZ
PZNP(ZMO,3,IWATER)=PZNP(ZMO,3,IWATER)+AR*POLINL/NI
PZNP(ZMO,4,ZHATER)=PZNP(ZMO,4,IWATER)+AR*POLZNM/NI
PZNP(ZMO,6,ZHATER)=0.0
DO 350 1=1.5
PZNP(ZMO.6,ZHATER)=PZNP(ZMO,6,ZHATER)+PZNP(ZMO,I,ZHATER)
350 CONTINUE
POLBAL(ZMO,1 ,ZHATER)=POLBAL(IMO,1,ZHATER > +ARBASP*CUM1*RSM* ZSRM/NI
POLBAL(ZMO.2,IWATBR)=POLBAL(IMO,2,ZHATER > +
$ ARBASP*VOLM(0.,CUM1,H,R,TA.VOLDU,DA.N,THM1,NZ)
POLBAL(ZMO,3,ZHATER)=POLBAL(ZMO,3,ZHATER > +AREASP*SINKU
POLBAL(ZMO,4,IWATBR)=AREASP* > *RS*DL*KL
POLBAL(ZMO,10.IWATER)=POLBAL(ZMO,10,ZHATBR)+
$ ARBASP*CLM1*THM1*DL*KDEL*30./NZ
POLBAL(ZMO,11,ZHATBR)=POLBAL(ZMO,11,ZHATBR)+ARBASP* TRANSL
POLBAL(ZMO,12,ZHATER)=AREASP*THM1*CUM1*DU
POLBAL(ZMO,13,ZHATER)=AREASP*THM1*CLM1*DL
POLBAL(ZMO,16,ZHATBR)=PCBCU*ARBASP
POLBAL(ZMO,17,ZHATBR)=PCBCL*AREASP
POLBAL < ZMO.18,ZHATBR)=POLBAL(ZMO,18,ZHATBR) +
* ARBASP*CUM1*THM1*DU*KTU*30./NI
POLBAL(ZMO,19,ZHATBR)=POLBAL(ZMO,19,ZHATBR)+
$ AREASP*CLM1*THM1*DL*KTL*30./NZ
POLBAL(ZMO.20,ZHATBR)=AREASP*
$ COMP(CUM1.MHT.SK.LZGCU1.MHTLZG,B,THM1,DU)
POLBAL(ZMO,21,ZHATER)=AREASP*
$COMP(CLM1,MHT,SK,LZGCL1,MHTLZG,B.THM1,DL)
POLBAL(ZMO.22,ZHATER)=POLBAL(ZMO,22,ZHATBR) + ARBASP*SZNKM
POLBAL(ZMO,23.ZHATBR)=ARBASP*(CMM1**(1./PRN))*RS*DM*KM
POLBAL(ZMO.24.ZHATER)=POLBAL(ZMO,24,ZHATBR)
$ +ARBASP*CMM1*THM1*DM*KDBM*30./NZ
POLBAL(ZMO,25,ZHATER>=POLBAL(ZMO,25,ZHATBR) + ARBASP*TRANSM
POLBAL(ZMO,26,ZHATER)=ARBASP*THM1*CMM1*DM
POLBAL(ZMO,28.ZHATER)=PCECM*AREASP
POLBAL(ZMO.29,ZHATBR)=POLBAL(ZMO,29,ZHATER)
$ +AREASP*CMM1*THM1*DM*KTM*30./NZ
POLBAL(ZMO,30.ZHATBR)=ARBASP*COMP(CMM1.MHT.SK,LIGCM1.MHTLIG.B,
$ THM1.DM)
POLBAL(ZMO,31 ,ZHATER > =POLBAL(ZMO,31,ZHATER) +
$ ARBASP*VOLM(CUM1,CMM1,H,R.TA,VOLDM,DA,N,THM1,NZ)
CMAX=AMAX1(CUM1,CMM1>
POLBAL(ZMO,32,ZHATBR > =POLBAL(ZMO,32,ZHATBR)+AREASP*
$VOLM(CMAX,CLM1,H,R,TA,VOLDL,DA.N.THM1,NZ)
POLBAL(ZMO,33,ZHATER)=POLBAL(ZMO,33,ZHATBR)+AREASP*
$(CUM1**(1./PRN))*KU*RS*DU*KTU*30./NI
POLBAL(ZMO,34,ZHATBR)=POLBAL(ZMO.34,ZHATBR)+
-------
257
$AREASP*(CHH1**(1./PRN)>*KM*RS*DM*KTM*30.0/NZ
POLBAL(ZHO,35,IWATBR)=POLBAL(IMO,35,IHATBR)+AREASP*
$(CLH1**(1./PRN))*KL*RS*DL*KTL*30./NI
POLBAL(ZHO,36,IWATBR)=POLBAL(IMO,36,ZWATBR)+ARBASP*PHYDCU
POLBAL(ZMO,37,IHATBR)=POLBAL(ZMO.37,IWATBR)+AREASP*PHYDCM
POLBAL(ZMO,38,IWATBR)=POLBAL(ZMO.38,ZWATER)+ARBASP*PHYDCL
POLBAL(ZMO,39,ZWATBR)=ARBASP*CUSA1*(N-THM1)*DU
POLBAL(ZMO,40,ZWATBR)=ARBASP*CMSA1*(N-THM1)*DM
POLBAL(ZMO,41,ZWATBR)=ARBASP*CLSA1*(N-THM1)*DL
POLBAL(ZMO,42,ZWATBR)=POLBAL(ZMO,42,ZWATBR)+ARBASP*SUM1*GWASH/NZ
PCONC(ZMO,1 ,ZWATER > =CUM1
PCONC(ZMO,2,ZWATER > =CMM1
PCONC(ZMO,3,ZWATBR)=CLM1
PCONC(ZMO,4,ZWATBR)=SUM1
PCONC(ZMO,5.ZWATBR)=SMM1
PCONC(ZMO,6.ZWATBR)=SLM1
PCONC(ZMO,7,ZWATBR)=CUSA1
PCONC(ZMO,8,IWATBR)=CMSA1
PCONC(ZMO,9,IWATBR)=CLSA1
PCONC(ZMO,10,ZWATBR)=LZGCUF
PCONC(ZMO,11,ZWATBR)=LZ6CMF
PCONC(ZMO,12.ZWATBR)=LIGCLF
PCONC(ZMO,13,IWATBR)=DPTH
C
C THIS ITERATION'S CALCULATED CONCENTRATIONS BBCOMB STARTING
C CONCENTRATIONS FOR THE NEXT ITERATION
C
CUM=CUM1
CMM=CMM1
CLM=CLM1
THM=THM1
SUM=SUM1
SMM=SMM1
SLM=SLM1
CUSA=CUSA1
CMSA=CMSA1
CLSA=CLSA1
LIGCU=LZGCU1
LZGCM=LZGCM1
LIGCL=LIGCL1
C
C CALCULATE ZNTBRACTZON TERMS BETWEEN SOZL C WATER ( AZR FOR
C WATER BODY I (USB WEIGHTED AREA FROM ABOVE - ARBASP)
C 1=1 SIGNIFIES LAKE, 1=2 SIGNIFIES RIVER, 1=3 SIGNIFIES ESTUARY
C 1=1 AND WATBOD = NO SIGNIFIES NO WATER BODY IS CONSZDBRBD.
C SURROF ZNCLUDBS BOTH WASHLOAD AND SURFACE RUNOFF
C
SURROF=ARBASP*(CUM1*RSM*ZSRM+SUM1*GWASH)
GRWROF=ARBASP*CLM1*RGM
ZFCGRWROF.LT.O.>GRWROF=0.
SAMOUT=ARBASP*(VOLM(0.,CUM1,H,R,TA,VOLDU,DA,N,THM1,1.0)+
t VOLMCCUM1,CMM1,H,R,TA.VOLDM,DA,N,THM1,1.0)+
$ VOLM(CMAX,CLM1,H,R,TA,VOLDL,DA.N,THM1,1.0))
ZP(Z STEP.LT.NSTEPS)RETURN'
ZF(IWATBR.BQ.1.AND.WATBOD.BQ.NO)GO TO 530
IFdWATER.NE. 1 )GO TO 610
-------
258
SVOLAL=POLBAL(IMO,2,IWATBR)+POLBAL(IMO,31,IWATBR)+
$ POLBAL(IMO,32,IWATBR)
SHSURL=POLBAL(IMO,1,IWATBR)
SWGRWL=POLBAL(IMO,7,IWATER)
SCONUL=(RS*SUM1+THM1*CUM1+(N-THM1)*CUSA1)*1.08+6
SCONML=(RS*SMM1+THM1*CMM1+*1.OB+6
RBSUSL=RDUST*SUM1*1.B-6
WASHL=POLBAL(IMO,42,IWATBR)
610 IF(IWATER.NB.2)GO TO 520
SVOLAR=POLBAL(IMO,2,ZWATBR)+POLBAL(IMO,31,IWATBR)+
$ POLBAL(IMO,32,IWATBR)
SWSURR=POLBAL(IMO,1,IWATBR)
SWGRWR=POLBAL(IMO,7,IWATBR)
SCONUR=(RS*SUM1+THM1*CUM1+(N-THM1)*CUSA1)*1.OB+6
SCONMR=(RS*SMM1+THM1*CMM1+(N-THM1)*CMSA1)*1.08+6
SCONLR=(RS*SLM1+THM1*CLM1+(N-THM1>*CLSA1)*1.OB+6
RBSUSR=RDUST*SUM1*1.B-6
WASHR=POLBAL(IMO,42,IWATER)
520 IF(IWATER.NB.3)GO TO 540
SVOLAB=POLBAL(IMO,2,IWATBR)+POLBAL(IMO,31,IWATBR)+
$ POLBAL *CMSA1)*1.OB+6
SCONLS=(RS*SLM1+THM1*CLM1+(N-THM1>*CLSA1)*1.OB+6
RBSUSS=RDUST*SUM1*1.E-6
WASHS=POLBAL(IMO,42,IWATBR)
540 CONTINUE
C CALCULATE ANNUAL POLLUTANT MASS AVERAGES AND TOTALS
C
00 420 J=1,45
POLBAL(13,J,IWATBR)=POLBAL(13,J,IWATBR)+POLBAL(IMO,J,IWATBR)
420 CONTINUE
DO 430 J=1,6
PINP(13.J,IWATBR)=PINP(13,J,IWATBR)+PINP(IMO,J,IWATBR)
430 CONTINUE
DO 431 J=1,15
PCONC ( 1 3 , J, IWATER) =PCONC ( 1 3 , J, IWATBR ) +PCONC ( IMO, J , IWATBR)
431 CONTINUE
IFCIMO.BQ.1)ARBA1(IWATBR>=ARBASP*0.0001
IF(IMO.LT.12)RETURN
DO 432 J=1,15
432 PCONC(13,J,IWATBR)=PCONC(13,J,IWATBR)/12.
-------
259
PZMPU(ZHATBR) = PINP(13,1,IWATER) + PIMP (13.2,IWATER)
PINPM(IWATER) = PZNP(13,4,ZWATER)
PZHPL(ZHATBR) = PINPM 3 , 3 , ZWATER)
C
C PRZNT POLLUTANT CYCLE RESULTS
C
WRZTE(ZOH,649)
6«9 FORMAK//. IX,T5.55( ' = ')./)
ZP(ZWATER.BQ.1.AND.WATBOO.EQ.NO)GO TO 695
ZF(ZWATBR.BQ.1) WRZTBCZOW,650)
650 FORMAT(/,1X,TS,'WATER BODY ZS A LAKE')
IF(ZWATER.EQ.2) WRITE(ZOW,670)
670 FORMAT(/,1X.T5,'WATER BODY ZS A RZVER')
ZF(ZWATER.EQ.3) WRITE(ZOW,690)
690 FORMAT
WRZTB(ZOW,751)((PINP(ZQ,ZVAL,ZWATER),ZQ=1,12),ZVAL=1,2),
*(PZNP(ZR,4,IWATER),IR=1.12),(PZNP(ZS,3,IWATER),ZS=1,12)
WRZTB(ZOW,753)(PZNP(ZQ,6,ZWATER),ZQ=1,12)
751 FORMATMX, ' PRBCZPATZON' ,T20, 1 2G9 . 3 , / ,
*1X,'OTHER(UPPER)',T20,12G9.3,/,
*1X,'OTHER(MIDDLE)',T20,12G9.3,/,
*1X,'OTHER(LOWBR)',T20,12G9.3>
753 FORMAT(/,/,1X,'TOTAL ZNPUT',T20,12G9.3)
WRITEdOW, 705)
705 FORMAK'1',/,6X,'-- POLLUTANT MASS DZSTRZBUTZON ZN COLUMN (
*'UG) —')
WRITEdOW, 706)
706 FORMAK2(/),1X,T5,'UPPER SOZL ZONE:',/)
WRZTE(ZOW,759)((POLBAL(ZQ,ZVAL,IWATER),IQ=1,12).ZVAL=1,4),
*(POLBAL(ZR,16,ZWATBR),ZR=1 ,12)
759 FORMAT MX,'SURFACE RUNOFF',T20 ,1 2G9 . 3 ,/.
*1X,'VOLATZLZZBD*,T20,12G9.3,/,
*1X,'OTHER SINKS',T20,12G9.3,/,
*1X,'ADS. ON SOIL'.T20.12G9.3,/,
*1X,'ZMMOBZLZZD-CBC',T20,12G9.3)
WRZTB(ZOW,762)(POLBAL(ZQ,5,ZWATBR),ZQ=1,12),
*
-------
260
•MX, 'COMPLBXBD' ,T20,12G9.3>
WRITE(IOW,763)(POLBAL(IQ,6.IWATBR),IQ=1,12),
*(POLBAL(IQ,12,ZHATBR),IQ=1,1 2) ,
*(POLBAL(IR,39,IWATER),ZR=1.12)
763 FORMAT MX, 'OTHER TRANS . ' ,T20 , 1 269 . 3 ,
*/,1X,'ZN SOIL MOIST.',T20.12G9.3,/,
*1X.'IN SOIL AIR',T20,12G9.3)
WRITE(IOW,720)
720 FORMAT(2(/),1X,T5,'MIDDLE SOIL ZONE:',/,/)
WRITECIOW.721)(POLBAL(IQ,31,IWATBR),IQ=1,12),
*(POLBAL(IR,22,IWATER),IR=1,12),
*(POLBAL(18,23,IWATBR),IS=1,12).
*(POLBAL(IT.28.IWATER),IT=1,12)
721 FORMAT(
*1X,'VOLATILIZED',T20,12G9.3,/,
*1X,'OTHER SINKS',T20,12G9.3,/,
•MX.'ADS. ON SOIL',T20,12G9.3,/.
*1X,'IHMOBILIZBD-CBC',T20,12G9.3)
WRITE(IOW,7 22)(POLBAL(IQ.24,IWATBR),IQ=1,12),
*(POLBAL(IR,29,IWATBR),IR=1,12),
*(POLBAL(IT,34,IWATBR),IT=1,12),
*(POLBAL(18,37.IWATBR),18=1 , 1 2) .
*(POLBAL(IU,30,IWATBR),IU=1 ,12)
722 FORMATMX, 'DEGRADED1 ,T20 ,1 2G9 . 3 , / ,
*1X,'HYDROLYZED-MOI',T20,12G9.3,/ ,
*1X,'HYDROLYZBD-SOI',T20,12G9.3,/,
*1X,'HYDROLYZED-CEC',T20,12G9.3,/ ,
*1X,'COMPLBXBD',T20,12G9.3)
WRITE(IOW,7 23)(POLBAL(IQ,2 5,IWATBR),IQ=1,12),
*(POLBAL(IQ,26,IWATBR),IQ=1.12) ,
*(POLBAL(IR,40,IWATBR).IR=1 ,12)
723 FORMAT(1X,'OTHER TRANS.',T20,12G9.3,
*/,1X,'IN SOIL MOIST.'.T20.12G9.3,/,
*1X,'IN SOIL AIR',T20,12G9.3)
WRITB(IOW,764)
764 FORMAT(2(/).1X.T5,'LOWER SOIL ZONE:',/)
WRITE(IOW,765)(POLBAL(IQ,7,IWATBR),IQ=1,12),
*(POLBAL(IQ,32,IWATBR),IQ=1 ,12) ,
*(POLBAL(IR,8,IWATBR),IR=1,12),
*(POLBAL(IT,9,IWATBR),IT=1,12).
*(POLBAL(IT,17,IWATBR),IT=1,12).
*(POLBAL(IS,10,IWATBR),IS=1 ,12)
765 FORMAT(1X,'INTO GRWATBR',T20,1 2G9.3 , / ,
*1X. 'VOLATILIZED' ,T20,12G9.3,/ ,
*1X,'OTHER SINKS'.T20.12G9.3,/,
*1X,'ADS. ON SOIL'.T20.12G9.3,/,
*1X,'IMMOBILIZD-CBC',T20,12G9.3,/,
*1X,'DEGRADED',T20,12G9.3)
WRITE(IOW,766)(POLBAL(IQ,19,IWATBR),IQ=1,12),
*(POLBAL(IQ,35,IWATER),IQ=1.12).
*(POLBAL(IQ,38,IWATBR),IQ=1, 1 2),
*(POLBAL(IR,21,IWATBR),IR=1,12),
•(POLBAL(IT,11,IWATER),IT=1,12)
766 FORMATMX, ' HYDROLYZBD-MOI' ,T20 ,1 2G9 . 3 , / ,
*1X,'HYDROLYZBD-SOI',T20,12G9.3,/,
*1X,'HYDROLYZED-CEC',T20,12G9.3,/ ,
-------
261
*1X,'COMPLEXED',T20,1269.3,/,
* 1X,'OTHER TRAMS.',T20,12G9.3)
WRITECIOW,760)(POLBAL(IU.13,IWATBR),IU=1.12).
*(POLBAL(IS,41,IWATBR),IS=1,12)
760 FORMAT(
*1X,'IN SOIL MOIST.',T20,12G9.3,/.
*1X,'IN SOIL AIR',T20,12G9.3)
HRITE(IOH,767)
767 FORMAT('1•,3(/),6X.'-- POLLUTANT CONCENTRATIONS-(UG/ML) OR (UG/G)
* —',/./)
WRITE(IOW,761)(PCONC(IQ,1,IWATER),IQ=1.12).
*(PCONC(IR,a,IWATER),IR=1,12).
*(PCONC(IR,7,IWATER).IR=1,12),
*(PCONC(IT,10,IWATER),IT=1,12)
761 FORMATdX, 'MOISTURE-UPPER' . T20 , 1 2G9 . 3 , /
*1X,'SOIL-UPPER1,T20,12G9.3,/,
*1X,'AIR-UPPER*,T20,12G9.3,/,
*1X,'FREE LIGAND-UPPER',120,12G9.3 >
WRITE(IOW,7 24)(PCONC(IQ,2,IWATBR),IQ=1,12),
*(PCONC(IR,5,IWATBR),IR=1,12),
*(PCONC(IR,8,IWATBR), IR=1,12),
*(PCONC(IT,11.IWATBR),IT=1,12)
724 FORMAT(/,/,/,1X,'MOISTURE-MIDDLE',T20,12G9.3,/
*1X,'SOIL-MIDDLE',T20,12G9.3,/,
*1X.'AIR-MIDDLE',T20,12G9.3,/,
*1X.'LIGAND-MIDDLB',T20,12G9.3)
WRITE(IOW,770XPCONC(IQ,3,IWATBR),IQ=1,12).
*(PCONC(IR,6,IWATBR),IR=1,12),
*(PCONC(IR,9,IWATBR),IR=1,12),
*(PCONC(IT,12,IWATBR),IT=1,12)
770 FORMAT(/,/,1X,'MOISTURE-LOWER',T20,12G9.3,/
*1X,'SOIL-LOWER',T20,12G9.3,/,
* 1X,'AIR-LOWER',T20,12G9.3,/,
* 1X,'FREE LIGAND-LOWBR',T20,12G9.3 >
WRITE(IOW,768)(PCONC(IQ,13,IWATBR),IQ=1,12)
768 FORMAT(/,/,1X,'MAX. POL.DBPTH(CM)',T20,12G9.3)
WRITE(IOW,709)IYR
709 FORMAT('1',/,T30,'YEAR -',15,' ANNUAL SUMMARY REPORT',/,T30,
*34('='))
WRITE(IOW,714 >PINPU(IWATER) ,PINPM(IWATBR),PINPL(IWATER)
714 FORMAT(3(/).6X,'— TOTAL INPUTS —',/./,
*1X.'UPPER SOIL ZONE'.T35.G9.3,/,
*1X,'MIDDLE SOIL ZONE',T35,G9.3,/,
• IX, 'LOWER SOIL ZONE-'.T35.G9.3)
WRITE(IOW,710)
HYDOUT=HYDBAL(13,1 )* 100
710 FORMAT(2(/>,6X,'— HYDROLOGIC CYCLE COMPONENTS —',/,/>
WRITE(IOW,791)HYDOUT,(HYDBAL(13,IVAL),IVAL=2,5)
WRITB(IOW,792)(HYDBAL(13,IVAL),IVAL=6,7)
791 FORMATdX,'AVERAGE SOIL MOISTURB( X ) ' ,T35 ,G9 . 3 , / ,
*1X.'TOTAL PRBCIPATION(CM)',T35,G9.3,/,
*1X,'TOTAL INFILTRATION (CM)•,T35,G9.3,/,
*1X,'TOTAL BVAPOTRANSP.(CM)'.T35.G9.3,/.
*1X,'TOTAL SURFACE RUNOFF(CM)',T35,G9.3)
792 FORMATdX,'TOTAL GRW RUNOFF(CM) ' ,T35 ,G9 . 3 . / ,
*1X,'TOTAL YIELD (CM)',T35,G9.3,/)
-------
262
WRITE
WRITE(IOW,771)(POLBAL<13.IVL,IWATER),IVL=1,3),POLBAL(12,4,IWATER),
•POLBAL(12,16,IWATER)
771 FORMAT MX,'TOTAL SURFACE RUNOFF ' ,T35 ,G9. 3 ,/,
*1X,'TOTAL VOLATILIZED',T35,G9.3,/,
*1X,'TOTAL OTHER SINKS',T35,G9.3,/,
*1X,'FINAL ADS. ON SOIL1,T35,G9.3,/,
*1X,'FINAL IMMOBILIZED-CBC',T35,G9.3)
WRITE(IOW,772)POLBAL(13,5,IWATBR >,
*POLBAL(13,18,IWATER),
*POLBAL(13,33,IWATER),
*POLBAL(13,36,IWATBR),
*POLBAL(12,20,IWATBR)
772 FORMAT<1X,'TOTAL DEGRADED',T35,G9.3,/,
*1X,'TOTAL HYDROLYZBD-MOI'.T35.G9.3,/,
*1X.'TOTAL HYDROLYZBD-SOI'.T35.G9.3,/,
*1X,'TOTAL HYDROLYZED-CBC'.T35.G9.3,/,
*1X,'FINAL COMPLBXBD',T35,G9.3)
WRITE(IOW,773)POLBAL(13,6,IWATBR),
•POLBAL(12,12,IWATBR).
*POLBAL(12,39,IWATBR)
773 FORMAT MX,'TOTAL OTHER TRANS. ' ,T35 ,69 . 3 ,
*/,1X,'FINAL IN SOIL MOIST.',T35,G9.3,/,
*1X,'FINAL IN SOIL AIR1,T35,G9.3)
WRITE(IOW,730)
730 FORMAT(2(/>,1X,T5,'MIDDLE SOIL ZONE:',/,/)
WRITB(IOW,725)POLBAL(13,31,IWATER),POLBAL(13,22,IWATBR),
•POLBAL(12,23,IWATBR).
* POLBAL(12,28,IWATBR)
725 FORMAT(
*1X,'TOTAL VOLATILIZED',T35,G9.3,/,
*1X.'TOTAL OTHER SINKS',T35,G9.3,/,
*1X,'FINAL ADS. ON SOIL',T35,69.3./,
*1X,'FINAL IMMOBILIZED-CBC',T35,G9.3)
WRITE(IOW,726)POLBAL(13,24,IWATBR),
•POLBAL(13,29,IWATBR),
•POLBAL(13,34.IWATBR),
•POLBAL(13,37,IWATBR),
•POLBAL(12,30,IWATBR)
726 FORMAT MX,'TOTAL DEGRADED' ,T35,G9 . 3, /,
*1X,'TOTAL HYDROLYZBD-MOI',T35,G9.3,/,
•IX,'TOTAL HYDROLYZBD-SOI',T35,G9.3,/,
*1X,'TOTAL HYDROLYZED-CBC',T35,G9.3,/,
*1X.'FINAL COMPLBXBD1,T35,G9.3)
WRITE(IOW,727)POLBAL(13,25.IWATBR),
•POLBAL(12,26,IWATBR),
•POLBAL(12,40,IWATER)
727 FORMAT MX, 'TOTAL OTHER TRANS . ' ,T35 ,G9 . 3 .
•X.1X,'FINAL IN SOIL MOIST.',T35,G9.3,/,
*1X,'FINAL IN SOIL AIR',T35,G9.3)
WRITB(IOW,764)
WRITE(IOW,774)POLBAL(13,7,IWATBR),
•POLBAL(13.32,IWATBR),
•POLBAL(13,8,IWATBR),
-------
263
•POLBAL(12.9,ZHATER),
*POLBAL(12,17,ZWATBR),
*POLBAL(13,10,IWATER)
774 FORMAT MX,'TOTAL INTO GRWATBR1 ,T35 ,G9. 3 , / ,
*1X.'TOTAL VOLATALZZBD',T35,69.3,/,
*1X,'TOTAL OTHER SINKS',T35,G9.3,/,
*1X,'FINAL ADS. ON SOZL',T35,G9.3,/,
*1X,'FINAL ZMMOBZLZZED-CEC',T35,G9.3,/,
*1X,'TOTAL DEGRADED*,T35,69.3)
WRITE(IOW,775)POLBAL(13,19,IWATER),
*POLBAL(13,35,ZWATBR).
•POLBAL(13,38,ZWATBR),
*POLBAL(12,21,ZWATER).
*POLBAL(13,11,ZWATBR)
775 FORMATMX,'TOTAL HYDROLYZED-HOI',T35,G9.3,/,
*1X,'TOTAL HYDROLYZBD-SOZ',T35,G9.3,/,
*1X,'TOTAL HYDROLYZBD-CEC',T35,G9.3,/,
*1X.'FINAL COHPLEXED',T35,G9.3,/,
*1X,'TOTAL OTHER TRANS.',T35,G9.3)
WRITE(ZOW,776)POLBAL(12,13,ZWATBR),
•POLBAL(12,41,ZWATER)
776 FORMAT(
*1X,'FINAL ZN SOZL MOZST.',T35,G9.3,/,
*1X,'FINAL ZN SOZL AZR',T35,G9.3)
WRZTB(ZOW,777)
777 FORMAT('1',5(/),6X,'— AVERAGE POLLUTANT CONCENTRATIONS-(UG/ML)'
•,'OR (UG/G) —',/,/)
WRITE(ZOW,781)PCONC(13,1,ZWATBR),
•PCONC(13,4,ZWATBR),
*PCONC(13,7,ZWATBR),
•PCONC(13,10,ZWATER)
781 FORMAT(/,/,/,IX,'MOISTURE-UPPER'.T35.G9.3./
*1X,'SOIL-UPPER'.T35.G9.3,/,
*1X.'AIR-UPPER',T35,G9.3,/,
•1X,'FRBB LZGAND-UPPER',T35,G9.3)
WRZTB(ZOW,7 2 8)PCONC(13,2,ZWATBR),
*PCONC(13,5,ZWATBR),
*PCONC(13,8,ZWATBR),
•PCONC(13,11,ZWATBR)
728 FORMAT(/,/,/,IX,'MOISTURE-MIDDLE',T35,G9.3,/
*1X,'SOIL-MIDDLE',T35,G9.3,/,
*1X,'AIR-MIDDLE',T35,G9.3,/,
*1X.'FREE LIGAND-MIDDLB'.T35.G9.3)
WRZTB(ZOW,779)PCONC(13,3,ZWATBR),
•PCONC(13,6,ZWATBR),
•PCONC(13,9,ZWATBR),
•PCONC(13,12,ZWATBR)
779 FORMAT(/,/,/,IX,'MOZSTURB-LOWBR',T35,G9.3,/
*1X,'SOIL-LOWER',T35,G9.3./,
*1X.'AIR-LOWER'.T35.G9.3,/,
*1X,'FREE LZGAND-LOWBR',T35,G9.3)
PDBP=PCONC(12,13,ZWATBR)/10 0.
WRZTB(ZOW,7 7 8)PDBP
778 FORMAT(/,1X,'MAX. POL. DBPTH(M)',T35,G9.3)
C
C RETURN TO LBVBL ROUTZNBS
-------
264
C
999 RETURN
END
-------
265
FUNCTION VOLMCC1,C2,H,R,T,DPTH,DA,N,THA.NI)
C
C THIS FUNCTION CALCULATES THE POLLUTANT MASS (U6/SQ CM) INVOLVED
C IN VOLATILIZATION FOR THE MONTLY ROUTINES
C
REAL N,NI
C
C CHECK CONCENTRATION GRADIENT
C
VOLM=0.0
IF(C1 .GE. C2> GO TO 10
VOLM=C2*(H/(R*(T+273.)*DPTH))*DA*((N-THA)**(10./3.)/N**2>
2 *86400.*30/NI
10 RETURN
END
-------
266
SUBROUTINE WATCN(TA.SUT.HU,GAMSW)
C ================
c
C THIS SUBROUTINE HAS BEEN COOED IN FORTRAN BY P.G. EAGLESON
C (BAGLBSON,1977)
C
C
C COMPUTES THE HATER CONSTANTS AT A GIVEN TEMPERATURE(EAGLESON,1977)
REAL NU.NUT
DIMENSION SUTT(11),NUT(11),GAMST(11)
DATA SUTT/75.6, 7(1.9,74.2, 73. 5 ,72. 0,72.1 , 71 . 4 , 70 . 7 , 70 . 0 , 69 . 3 , 68 . 6/ ,
1 NUT/17.93B-3.15.18E-3.13.09E-3.1 1.44E-3,10.08E-3,8.94E-3,8.B-3,
27.2E-3,6.53B-3,5.97B-3,5.94B-3/.
3GAMST/0.99987,0.99999,0.99973,0.99913,0.99823,0.99708,0.99568, 0.99
4406,0.99225,0.99025,0.988077
IPCTA.GT.50.) GO TO 10
ITA=IPIX(TA*0.2)+1
PRAC=TA-PLOAT(IPIX(TA))
ITA1=ITA+1
SUT=(SUTT(ITA1)-SUTT(ITA))*0.2*PRAC+SUTT(ITA)
NU=(NUT(ITA1)-NUT(ITA))*0.2*PRAC+NUT(ITA)
GAMSH=((GAMST(ITA1>-GAMST(ITA))*0.2*PRAC+GAMST(ITA))*980.
RETURN
10 SUT=SUTT(11)
NU=NUT(11)
GAMSW=GAMST(11)*980.
RETURN
END
-------
267
The following routines comprise the general purpose integrator
package D01AJF.
-------
268
SUBROUTINE D01AJFCF, A, B, EPSABS. BPSREL, RESULT, ABSERR,
* WORK, LWORK, IWORK, LIWORK, IFAIL)
C MARK 8 RELEASE. NAG COPYRIGHT 1980
C
C D01AJF IS A GENERAL PURPOSE INTEGRATOR WHICH CALCULATES
C AN APPROXIMATION TO THE INTEGRAL OF A FUNCTION OVER A FINITE
C INTERVAL (A.B)
C
C D01AJF ITSELF IS ESSENTIALLY A DUMMY ROUTINE WHOSE FUNCTION IS TO
C PARTITION THE WORK ARRAYS WORK AND IWORK FOR USE BY D01AJV.
C WORK IS PARTITIONED INTO 4 ARRAYS EACH OF SIZE LWORK/4.
C IWORK IS A SINGLE ARRAY IN D01AJV.
C
C .. SCALAR ARGUMENTS ..
REAL A, ABSERR, B, EPSABS, EPSREL, RESULT
INTEGER IFAIL, LIWORK. LWORK
C .. ARRAY ARGUMENTS ..
REAL WORK(LWORK)
INTEGER IWORK(LIWORK)
C .. FUNCTION ARGUMENTS ..
REAL F
C
C .. LOCAL SCALARS ..
DOUBLE PRECISION SRNAMB
INTEGER IBL, IBL, IBR, IRL, LIMIT
C .. FUNCTION REFERENCES ..
INTEGER P01AAF
C .. SUBROUTINE REFERENCES ..
C D01AJV
C
EXTERNAL F
DATA SRNAME /8H D01AJF /
C CHECK THAT MINIMUM WORKSPACE REQUIREMENTS ARE MET
IF (LWORK.LT.4) GO TO 20
IF (LIWORK.LT.LWORK/8+2) GO TO 20
C LIMIT = UPPER BOUND ON NUMBER OF SUBINTBRVALS
LIMIT = LWORK/4
C SET UP BASE ADDRESSES FOR WORK ARRAYS
IBL = LIMIT + 1
IBL = LIMIT + IBL
IRL = LIMIT + IBL
C PERFORM INTEGRATION
CALL D01AJVCF, A, B, ABS(EPSABS), ABS(EPSRBL), WORKM),
* WORK(IBL), WORK(IBL), WORK(IRL), LIMIT, IWORK, LIWORK,
* RESULT, ABSERR, IER)
IF (IER.NB.O) GO TO 40
IFAIL = 0
GO TO 60
C ERROR 6 = INSUFFICIENT WORKSPACE
20 IBR = 6
40 IFAIL = P01AAF(IFAIL,IBR,SRNAME)
60 RETURN
END
SUBROUTINE D01AJV(F, A, B, BPSABS, BPSREL, ALIST, BLIST,
* ELIST, RLIST, LIMIT, IORD, LIORD, RESULT, ABSBRR, IBR)
C MARK 8 RELEASE. NAG COPYRIGHT 1979
-------
269
C BASED ON QUADPACK ROUTINE DQAGS (FORMERLY QAGS)
C **********************************************************
C
C PURPOSE
C THE ROUTINE CALCULATES AN APPROXIMATION
C /RESULT/ TO A GIVEN DEFINITE INTEGRAL I =
C INTEGRAL OF /F/ OVER
-------
270
C INCREASING THE DIMENSIONS OF THE
C WORK ARRAYS WORK AND IWORK.
C HOWEVER, THIS HAY
C YIELD NO IMPROVEMENT. AND IT
C IS RATHER ADVISED TO HAVE A
C CLOSE LOOK AT THE INTEGRAND,
C IN ORDER TO DETERMINE THE
C INTEGRATION DIFFICULTIES. IF
C THE POSITION OF A LOCAL
C DIFFICULTY CAN BE DETERMINED
C (I.E. SINGULARITY,
C DISCONTINUITY WITHIN THE
C INTERVAL) ONE WILL PROBABLY
C GAIN FROM SPLITTING UP THE
C INTERVAL AT THIS POINT AND
C CALLING THE INTEGRATOR ON THE
C SUB-RANGES. IF POSSIBLE, AN
C APPROPRIATE SPECIAL-PURPOSE
C INTEGRATOR SHOULD BE USED
C WHICH IS DESIGNED FOR
C HANDLING THE TYPE OF
C DIFFICULTY INVOLVED.
C = 2 THE OCCURRENCE OF ROUNDOFF
C ERROR IS DETECTED WHICH
C PREVENTS THE REQUESTED
C TOLERANCE FROM BEING
C ACHIEVED. THE ERROR MAY BE
C UNDER-ESTIMATED.
C =3 EXTREMELY BAD INTEGRAND BEHAVIOUR
C OCCURS AT SOME INTERIOR POINTS OF THE
C INTEGRATION INTERVAL.
C = H IT IS PRESUMED THAT THE REQUESTED
C TOLERANCE CANNOT BE ACHIEVED,
C AND THAT THE RETURNED RESULT
C IS THE BEST WHICH CAN BE
C OBTAINED.
C =5 THE INTEGRAL IS PROBABLY DIVERGENT, OR
C SLOWLY CONVERGENT. IT MUST BE NOTED
C THAT DIVERGENCY CAN OCCUR
C WITH ANY OTHER VALUE OF IER.
C
C **********************************************************
C .. SCALAR ARGUMENTS ..
REAL A, ABSBRR, B. BPSABS, BPSRBL, RESULT
INTEGER IBR, LIMIT, LIORD
C .. ARRAY ARGUMENTS ..
REAL ALIST(LIMIT), BLISTtLIMIT), BLIST(LIMIT), RLIST(LIMIT)
INTEGER IORD(LIORD)
C .. FUNCTION ARGUMENTS ..
REAL F
C
C .. SCALARS IN COMMON ..
INTEGER JUPBND
C
C .. LOCAL SCALARS ..
REAL A1, A2, ABSEPS, ARBA12, ARBA1, ARBA2, AREA, B1, B2,
-------
271
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
C
* CORREC, DEFAB1, DBFAB2. DBFABS, ORBS, BPMACH, BRLARG,
* ERLAST, BRRBMD, BRRMAX. BRRO12, ERROR1, ERROR2, ERRSUM,
* BRTBST, OFLOW, RESABS. RBSBPS, SMALL, UFLOH
INTEGER ID, XBRRO, ZROFP1, ZROPP2, ZROFF3, K. KSGN, KTMIN,
* LAST1, LAST, MAXBRR, NRBS, MRMAX, NUHRL2
LOGICAL EXTRAP, NOEXT
.. LOCAL ARRAYS ..
REAL RES3LAO). RLIST2(52)
.. FUNCTION REFERENCES ..
REAL X02AAF, X02ABF, X02ACF
.. SUBROUTINE REFERENCES ..
D01AJX, D01AJY, D01AJZ
• •
EXTERNAL F
COMMON /AD01AJ/ JUPBND
THE DIMENSION OF /RLIST2/ IS DETERMINED BY
DATA /LIMBXP/ IN SUBROUTINE D01AJY (/RLIST2/
SHOULD BE OF DIMENSION (LIMEXP-t-2) AT LEAST).
EPMACH = X02AAFM.O)
UFLOH = X02ABFM .0)
OFLOW = X02ACFM .0)
LIST OF MAJOR VARIABLES
ALIST - LIST OF LEFT END-POINTS OF ALL SUBINTERVALS
CONSIDERED UP TO NOW
BLIST - LIST OF RIGHT END-POINTS OF ALL SUBINTBRVALS
CONSIDERED UP TO NOW
RLIST(I) - APPROXIMATION TO THE INTEGRAL OVER
(ALIST(I),BLIST(I))
RLIST2 - ARRAY OF DIMENSION AT LEAST LIMBXP+2
CONTAINING THE PART OF THE EPSILON TABLE
WHICH IS STILL NEEDED FOR FURTHER
COMPUTATIONS
BLIST(I) - ERROR ESTIMATE APPLYING TO RLIST(I)
MAXBRR - POINTER TO THE INTERVAL WITH LARGEST ERROR
ESTIMATE
BRRMAX - BLIST(MAXBRR)
ERLAST - ERROR ON THE INTERVAL CURRENTLY SUBDIVIDED
(BEFORE THAT SUBDIVISION HAS TAKEN PLACE)
AREA - SUM OF THE INTEGRALS OVER THE SUBINTBRVALS
BRRSUM - SUM OF THE ERRORS OVER THE SUBINTBRVALS
ERRBND - REQUESTED ACCURACY MAX(BPSABS.BPSRBL*
-------
272
C
c
C
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
c
ABS = A
BLISTM ) = B
RLISTM > = RESULT
RLIST2M ) = RESULT
-------
273
BRRMAX = ABSERR
MAXERR = 1
AREA = RESULT
ERRSUM = ABSERR
ABSERR = OPLOH
NRMAX = 1
NRBS = 0
NUMRL2 = 2
KTMZN = 0
EXTRA? = .FALSE.
NOEXT = .FALSE.
IROFF1 = 0
IROFF2 = 0
ZROFF3 = 0
KSGN = -1
IF (DRES.GE.(0.1B+01-0.5B+02*EPMACH)*DBFABS> KS6N= 1
C
C MAIN DO-LOOP
C
C
IF (LIMIT.LT.2) GO TO 220
DO 200 LAST=2,LIMIT
C
C BISECT THE SUBINTERVAL WITH THB NRMAX-TH LARGEST
C ERROR ESTIMATE
C
LAST1 = LAST
A1 = ALIST(MAXERR)
B1 = 0.5B+00*(ALIST(MAXERR)+BLIST(MAXERR»
A2 = B1
B2 = BLIST(MAXBRR)
ERLAST = ERRMAX
CALL D01AJZCF, A1, B1, AREA1, ERROR1, RBSABS, DEFAB1)
CALL D01AJZCF, A2. B2, ARBA2, BRROR2, RBSABS, DEFAB2)
C
C IMPROVE PREVIOUS APPROXIMATION OF INTEGRAL
C AND ERROR AND TEST FOR ACCURACY
C
AREA12 = AREA1 + ARBA2
ERR012 = ERROR1 + BRROR2
ERRSUM = BRRSUM + BRRO12 - BRRMAX
AREA = AREA + ARBA12 - RLIST(MAXBRR)
IF (DEFAB1.EQ.ERROR1 .OR. DBFAB2.BQ.BRROR2) GO TO 40
IF (ABS(RLIST(MAXERR)-ARBA12).GT.0.1E-04*ABS(ARBA12) .OR.
* ERRO12.LT~.0.99E+Ob*BRRMAX> GO TO 20
IF (BXTRAP) IROPP2 = IROFF2 + 1
IF (.NOT.BXTRAP) IROFF1 = IROFF1 + 1
20 IF (LAST.GT.10 .AND. BRRO12.GT.BRRMAX) IROFF3 = IROFF3 + 1
40 RLIST(MAXBRR) = AREA1
RL1ST(LAST) = ARBA2
ERRBND = AMAX1 (BPSABS , BPSRBL*ABS( AREA) )
IF (BRRSUM.LE.ERRBND) GO TO 280
C
C TEST FOR ROUNDOFF ERROR AND EVENTUALLY
C SET ERROR FLAG
C
-------
274
IP (IROFF1+IROFF2.GB.10 .OR. ZROFF3.GB.20) ZBR = 2
IF (ZROFF2.GB.5) ZBRRO = 3
C
C SBT BRROR FLAG IN THE CASE THAT THE NUMBER OP INTERVAL
C BISECTIONS EXCEEDS /LIMIT/
C
IF (LAST.BQ.LIMIT) IBR = 1
C
C SET ERROR FLAG IN THE CASE OF BAD INTEGRAND BEHAVIOUR
C AT INTERIOR POINTS OF INTEGRATION RANGE
C
IF (AMAX1(ABSCA1),ABS(B2)).LE.(0.1E+01+0.1E+03*EPMACH)*
* (ABS(A2)+0.1E+04*UFLOW>) IBR = a
IF (IBR.NE.O) GO TO 220
C
C APPEND THE NEWLY-CREATED INTERVALS TO THE LIST
C
IF (BRROR2.GT.ERROR1) GO TO 60
ALIST(LAST) = A2
BLIST(MAXBRR) = B1
BLIST(LAST) = B2
BLIST(MAXBRR) = BRROR1
ELIST(LAST) = BRROR2
GO TO 80
60 ALIST(MAXBRR) = A2
ALIST(LAST) = A1
BLIST(LAST) = B1
RLIST(MAXERR) = ARBA2
RLIST(LAST) = AREA1
BLIST(MAXBRR) = ERROR2
ELIST(LAST) = ERROR1
C
C CALL SUBROUTINE D01AJX TO MAINTAIN THE
C DESCENDING ORDERING IN THE LIST OF ERROR
C ESTIMATES AND SELECT THE SUBINTBRVAL WITH
C NRMAX-TH LARGEST BRROR ESTIMATE (TO BE BISECTED
C NEXT)
C
80 CALL D01AJXCLIMIT, LAST, MAXBRR, ERRMAX, BLIST, IORD,
* LIORD, NRMAX)
IF (LAST.EQ.2) GO TO 180
IF (NOBXT) GO TO 200
BRLARG = ERLARG - BRLAST
IF (ABS(B1-A1>.GT.SMALL) BRLARG = BRLARG + BRR012
IF (BXTRAP) GO TO 100
C
C TEST WHETHER THE INTERVAL TO BB BISECTED NEXT IS THE
C SMALLEST INTERVAL
C
IF (ABS(BLIST(MAXBRR)-ALIST(MAXERR)).GT.SMALL) GO TO 200
BXTRAP = .TRUE.
NRMAX = 2
100 IP (IERRO.BQ.3 .OR. BRLARG.LB.ERTBST) GO TO 100
C
C THE SMALLEST INTERVAL HAS THE LARGEST ERROR.
C BEFORE BISECTING DBCRBASB THE SUM OP THE ERRORS
-------
275
C OVER THE LARGER INTERVALS(BRLARC) AND PERFORM
C EXTRAPOLATION
C
ID = NRHAX
DO 120 K=ID,JUPBND
HAXBRR = lORD(NRMAX)
BRRHAX = BLIST(MAXERR)
IP (ABS(BLIST(MAXERR)-ALIST(HAXERR)).GT.SHALL) GO TO 200
NRMAX = NRHAX + 1
120 CONTINUE
C
C PERFORM EXTRAPOLATION
C
140 NUHRL2 = NUHRL2 + 1
RLIST2(NUHRL2) = AREA
CALL D01AJY(NUNRL2, RLIST2, RBSBPS, ABSBPS, RBS3LA, NRBS)
KTHIN = KTHIN + 1
IF (KTHIN.GT.5 .AND. ABSBRR.LT.0.1E-02*ERRSUH) IBR = 5
IF (ABSBPS.GB.ABSERR) GO TO 160
KTHIN = 0
ABSERR = ABSBPS
RESULT = RESBPS
CORRBC = BRLARG
ERTBST = AHAX1(BPSABS,EPSREL*ABS(RBSBPS))
IF (ABSBRR.LE.ERTEST) GO TO 220
C
C PREPARE BISECTION OF THB SMALLEST INTERVAL
C
160 IF (NUHRL2.BQ.1) NOBXT = .TRUE.
IF (IBR.BQ.5) GO TO 220
HAXBRR = IORD(1)
BRRMAX = ELIST(HAXERR)
NRHAX = 1
EXTRAP = .FALSE.
SHALL = SHALL*0.5E+00
BRLARG = BRRSUH
GO TO 200
180 SHALL = ABS(B-A)*0.375B+00
BRLARG = BRRSUH
ERTBST = BRRBND
RLIST2(2) = AREA
200 CONTINUE
C
C SET FINAL RESULT AND ERROR ESTIMATE
C
C
220 IF (ABSERR.BQ.OFLOW) GO TO 280
IP (IBR+IBRRO.BQ.O) GO TO 260
IF (IBRRO.EQ.3) ABSERR = ABSBRR + CORRBC
IP (IBR.BQ.O) IER = 3
IF (RESULT.NB.O.B+00.AND .AREA. NB.O.E+00) GO TO 240
IF (ABSBRR.GT.ERRSUH) GO TO 280
IP (ARBA.BQ.O.E+00) GO TO 320
GO TO 260
240 IF (ABSERR/ABS(RESULT>.GT.ERRSUM/ABS(AREA)) GO TO 280
C
-------
276
C TEST ON DIVERGENCY
C
260 IP (KSGN.EQ.-1 .AND. AMAX1(ABS(RESULT),ABS(AREA)).LB.DBPABS*
* 0.1E-01) GO TO 320
IF (0.1B-01.GT.(RESULT/AREA) .OR. (RESULT/AREA).GT.0.1B+03
* .OR. BRRSUM.GT.ABS(AREA» IBR = 6
GO TO 320
C
C COMPUTE GLOBAL INTEGRAL SUM
C
280 RESULT = O.E+00
DO 300 K=1,LAST
RESULT = RESULT + RLIST(K)
300 CONTINUE
ABSBRR = BRRSUM
320 IP (IBR.GT.2) IBR = IBR - 1
IORD(1) = 4*LAST1
RETURN
END
SUBROUTINE D01AJXCLIMIT, LAST, MAXERR, ERMAX, BLIST, IORD,
* LIORD, NRMAX)
C MARK 8 RELEASE. NAG COPYRIGHT 1979
C BASED ON QUADPACK ROUTINE ORDER
C ***********************«4i«****************************
C
C PURPOSE
C THIS ROUTINE MAINTAINS THE DESCENDING ORDERING
C IN THE LIST OP THE LOCAL ERROR ESTIMATES
C RESULTING PROM THE INTERVAL SUBDIVISION
C PROCESS. AT BACH CALL TWO ERROR ESTIMATES
C ARE INSERTED USING THE SEQUENTIAL SEARCH
C METHOD . TOP-DOWN POR THE LARGEST ERROR
C ESTIMATE, BOTTOM-UP POR THE SMALLEST ERROR
C ESTIMATE.
C
C CALLING SEQUENCE
C CALL D01AJX
C (LIMIT,LAST,MAXERR,ERMAX,BLIST,IORD,LIORD,NRMAX)
C
C PARAMETERS (MEANING AT OUTPUT)
C LIMIT - MAXIMUM NUMBER OP ERROR ESTIMATES THE LIST
C CAN CONTAIN
C
C LAST - NUMBER OP ERROR ESTIMATES CURRENTLY
C IN THE LIST. BLIST(LAST) CONTAINS
C THE SMALLEST ERROR BSTIMATB.
C
C MAXERR - MAXERR POINTS TO THE NRMAX-TH LARGEST ERROR
C BSTIMATB CURRENTLY IN THB LIST.
C
C BRMAX - NRMAX-TH LARGEST ERROR BSTIMATB
C BRMAX = BLIST(MAXBRR)
C
C ELIST - ARRAY OP DIMENSION LAST CONTAINING
C THB ERROR ESTIMATES
C
-------
277
C IORD - ARRAY CONTAINING POINTERS TO ELIST SO
C THAT IORD(1) POINTS TO THE LARGEST
C ERROR ESTIMATE lORD(LAST) TO THE
C SMALLEST ERROR ESTIMATE
C
C LIORD - DIMENSION OP IORO
C
C NRMAX - MAXERR = lORO(NRMAX)
C
C ******************************************************
C
C .. SCALAR ARGUMENTS ..
REAL ERMAX
INTEGER LAST. LIMIT. LIORD. MAXERR, NRMAX
C .. ARRAY ARGUMENTS ..
REAL BLIST(LAST)
INTEGER IORD(LIORD)
C
C .. SCALARS IN COMMON ..
INTEGER JUPBND
C
C .. LOCAL SCALARS ..
REAL BRRMAX, ERRMIN
INTEGER I, IBBG. IDO, ISUCC, J. JBND, K.
C
COMMON /AD01AJ/ JUPBND
C
C CHECK WHETHER THE LIST CONTAINS MORE THAN
C TWO ERROR ESTIMATES
C
IF (LAST.GT.2) GO TO 20
IORD(1) = 1
IORD(2) = 2
GO TO 180
C
C THIS PART OF THE ROUTINE IS ONLY EXECUTED
C IF, DUE TO A DIFFICULT INTEGRAND, SUBDIVISION
C INCREASED THE ERROR ESTIMATE. IN THE NORMAL CASE
C THE INSERT PROCEDURE SHOULD START AFTER THE
C NRMAX-TH LARGEST ERROR ESTIMATE.
C
20 ERRMAX = ELIST(MAXERR)
IF (NRMAX.BQ.1) GO TO 60
IDO = NRMAX - 1
DO 40 1=1,IDO
ISUCC = IORD(NRMAX-1)
IF (BRRMAX.LB.ELIST(ISUCC)) GO TO 60
IORD(NRMAX) = ISUCC
NRMAX = NRMAX - 1
40 CONTINUE
C
C COMPUTE THE NUMBER OF ELEMENTS IN THE LIST TO
C BE MAINTAINED IN DESCENDING ORDER. THIS NUMBER
C DEPENDS ON THE NUMBER OF SUBDIVISIONS STILL
C ALLOWED
C
-------
278
60 JUPBND = LAST
IF (LAST.GT.(LIMIT/2+2)) JUPBND = LIMIT + 3 - LAST
BRRMIN = BLIST(LAST)
C
C INSERT BRRMAX BY TRAVERSING THE LIST TOP-DOWN
C STARTING COMPARISON FROM THE ELEMENT
C ELIST(IORD(NRMAX+1))
C
JBND = JUPBND - 1
IBBG = NRMAX + 1
IF (IBBG.GT.JBND) GO TO 100
DO 80 I=IBBG.JBND
ISUCC = IORD(I)
IF (BRRMAX.GB.BLIST(ISUCC)) GO TO 120
IORD(I-1) = ISUCC
80 CONTINUE
100 IQRD(JBND) = MAXERR
IORD(JUPBND) = LAST
GO TO 180
C
C INSERT BRRMIN BY TRAVERSING THE LIST BOTTOM-UP
C
120 IORDCI-1) = MAXBRR
K = JBND
DO 140 J=I,JBND
ISUCC = IORD(K)
IF (ERRMIN.LT.ELIST(ISUCC)) GO TO 160
IORD(K+1) = ISUCC
K = K - 1
140 CONTINUE
IORD(I) = LAST
GO TO 180
160 IORD(K+1) = LAST
C
C SET MAXBRR AND ERMAX
C
180 MAXBRR = IORD(NRMAX)
BRMAX = BLIST(MAXBRR)
RETURN
END
SUBROUTINE D01AJYCN, BPSTAB, RESULT, ABSBRR. RBS3LA, NRBS)
C MARK 8 RELEASE. NAG COPYRIGHT 1979
C BASED ON QUADPACK ROUTINE BPSALG
C ******************************************************
C
C PURPOSE
C THE ROUTINE TRANSFORMS A GIVEN SEQUENCE OF
C APPROXIMATIONS, BY MEANS OF THE BPSILON
C ALGORITHM OF P. HYNN.
C
C AN ESTIMATE OF THE ABSOLUTE ERROR IS ALSO GIVEN.
C THE CONDENSED EPSILON TABLE IS COMPUTED. ONLY THOSE
C ELEMENTS NEEDED FOR THE COMPUTATION OF THE
C NEXT DIAGONAL ARE PRESERVED.
C
C CALLING SEQUENCE
-------
279
C CALL D01AJY (N,EPSTAB,RESULT,ABSBRR,RES3LA.NRES>
C
C PARAMETERS
C N - BPSTAB(N) CONTAINS THE NEW ELEMENT IN THE
C FIRST COLUMN OP THE BPSILON TABLE.
C
C BPSTAB - ONE DIMENSIONAL ARRAY CONTAINING THE
C ELEMENTS OF THE TWO LOWER DIAGONALS OF
C THE TRIANGULAR BPSILON TABLE.
C THE ELEMENTS ARE NUMBERED STARTING AT THE
C RIGHT-HAND CORNER OF THE TRIANGLE.
C THE DIMENSION SHOULD BE AT LEAST N+2.
C
C RESULT - RESULTING APPROXIMATION TO THE INTEGRAL
C
C ABSBRR - ESTIMATE OF THE ABSOLUTE ERROR COMPUTED FROM
C RESULT AND THE 3 PREVIOUS /RESULTS/
C
C RES3LA - ARRAY CONTAINING THE LAST 3 /RESULTS/
C
C NRES - NUMBER OF CALLS TO THE ROUTINE
C (SHOULD BE ZERO AT FIRST CALL)
C
C .. SCALAR ARGUMENTS ..
REAL ABSERR, RESULT
INTEGER N. NRBS
C .. ARRAY ARGUMENTS ..
REAL EPSTAB(52), RBS3LAO)
C
C .. LOCAL SCALARS ..
REAL DBLTA1, DELTA2. DELTA3, BO. B1 , B1ABS, B2, E3, BPMACH,
* EPSINF, ERR1, ERR2, ERR3, ERROR, OFLOW, RES. SS, TOL1, TOL2,
« TOL3
INTEGER I, IB2, IB, IE, IND, K1, K2, K3, LIMBXP, NEWELM, NUM
C .. FUNCTION REFERENCES ..
REAL X02AAF, X02ACF
C
C
C MACHINE DEPENDENT CONSTANTS
C
C /LIMBXP/ IS THE MAXIMUM NUMBER OF ELEMENTS THE BPSILON
C TABLE CAN CONTAIN. IF THIS NUMBER IS REACHED, THE UPPER
C DIAGONAL OF THE EPSILON TABLE IS DELETED.
C
DATA LIMBXP /SO/
BPMACH = X02AAFM.O)
OFLOW = X02ACFM .0)
C
C LIST OF MAJOR VARIABLES
C
C BO - THE 4 ELEMENTS ON WHICH THE
C B1 COMPUTATION OF A NEW ELEMENT IN
C E2 THE BPSILON TABLE IS BASED
C S3 EO
C E3 B1 NEW
-------
280
C E2
C NEWELM - NUMBER OF ELEMENTS TO BE COMPUTED IN THE NEW
C DIAGONAL
C ERROR - ERROR = ABS(B1-BO)+ABS(E2-E1)+ABS(NBW-B2)
C RESULT - THE ELEMENT IN THE NEW DIAGONAL WITH LEAST
C ERROR
C
NRBS = NRBS + 1
ABSERR = OPLOH
RESULT = EPSTAB(N)
IP (N.LT.3) GO TO 200
EPSTAB(N+2> = BPSTAB(N)
NEWELM = (N-1)/2
BPSTAB(N) = OFLOW
NUM = N
K1 = N
DO 80 1=1,NBWBLM
K2 = K1 - 1
K3 = K1 - 2
RES = EPSTAB(K1+2>
BO = BPSTABCK3)
E1 = BPSTAB(K2)
E2 = RES
• E1ABS = ABSCB1 )
DBLTA2 = B2 - B1
ERR2 = ABSCDBLTA2)
TOL2 = AMAX1(ABS(B2),B1ABS)*EPMACH
DBLTA3 = B1 - BO
BRR3 = ABS(DBLTA3)
TOL3 = AMAX1(E1ABS,ABSCBO))*BPMACH
IF (ERR2.GT.TOL2 .OR. ERR3.GT.TOL3) GO TO 20
C
C IP BO, B1 AND B2 ARE EQUAL TO WITHIN MACHINE
C ACCURACY, CONVERGENCE IS ASSUMED
C RESULT = E2
C ABSBRR = ABS(B1-BO)+ABS(B2-B1>
C
RESULT = RES
ABSBRR = BRR2 + ERR3
GO TO 200
20 S3 = BPSTABCK1)
EPSTABCK1) = B1
DBLTA1 = B1 - B3
ERR1 = ABSCDELTA1)
TOL1 = AMAXK BUBS, ABS (E3) >*BPMACH
C
C IP TWO BLBMBMTS ARE VERY CLOSE TO EACH OTHER, OMIT
C A PART OF THE TABLE BY ADJUSTING THE VALUE OP N
C
IF (BRR1.LT.TOL1 .OR. ERR2.LT.TOL2 .OR. BRR3.LT.TOL3) GO
* TO 40
SS = 0.1B+01/DELTA1 + 0.18+01/DBLTA2 - 0.1E+01/DELTA3
EPSINF = ABS(SS*B1)
C
C TEST TO DETECT IRREGULAR BEHAVIOUR IN THE TABLE, AND
C EVENTUALLY OMIT A PART OP THE TABLE ADJUSTING THE VALUE
-------
281
C OF N
C
IF (BPSXNF.GT.0.1E-03) GO TO 60
40 N = I + I - 1
GO TO 100
C
C COMPUTE A NEW ELEMENT AND EVENTUALLY ADJUST
C THE VALUE OF RESULT
C
60 RES = B1 + 0.1E+01/SS
BPSTAB(K1) = RES
K1 = K1 - 2
ERROR = ERR2 + ABS(RES-B2) + ERR3
XF (ERROR.GT.ABSERR) GO TO 80
ABSBRR = ERROR
RESULT = RES
80 CONTINUE
C
C SHIFT THE TABLE
C
100 IF (N.EQ.LIMBXP) N = 2*(LIMEXP/2) - 1
IB = 1
IF ((NUM/2)*2.BQ.NUM) IB = 2
IE = NEWBLM + 1
DO 120 1=1, IB
IB2 = IB + 2
EPSTAB(IB) = EPSTAB(IB2)
IB = XB2
120 CONTINUE
IF (NUM.EQ.N) GO TO 160
IND = NUM - N + 1
DO 140 1=1,N
BPSTAB(I) = BPSTAB(IND)
IND = IND + 1
140 CONTINUE
160 IF (NRES.GE.4) GO TO 180
RES3LA(NRES> = RESULT
ABSBRR = OFLOW
GO TO 200
C
C COMPUTE ERROR ESTIMATE
C
180 ABSBRR = ABS(RESULT-RES3LA(3 )) + ABS(RBSULT-RBS3LA(2)) +
* ABS(RESULT-RES3LA(1))
RBS3LAM) = RES3LAC2)
RES3LAC2) = RBS3LAC3)
RBS3LAO) = RESULT
200 ABSERR = AMAX1(ABSBRR,5.OB+00*BPMACH*ABS(RESULT))
RETURN
END
SUBROUTINE D01AJZ(F, A, B. RESULT, ABSBRR, RBSABS, RBSASC)
C MARK 8 RELEASE. NAG COPYRIGHT 1979
C BASED ON QUADPACK ROUTINE QUARUL
C
C
C PURPOSE
-------
282
C TO COMPUTE I = INTEGRAL OF F OVER (A,B), WITH ERROR
C ESTIMATE
C J = INTEGRAL OF ABS(P) OVER (A,B)
C
C CALLING SEQUENCE
C CALL D01AJZ (F,A,B,RESULT.ABSBRR,RBSABS,RBSASC)
C
C PARAMETERS
C F FUNCTION SUBPROGRAM DEFINING THE INTEGRAND
C FUNCTION F(X). THE ACTUAL NAME FOR F NEEDS
C TO BE DECLARED EXTERNAL IN THE
C CALLING PROGRAM
C
C A - LOWER LIMIT OF INTEGRATION
C
C B - UPPER LIMIT OP INTEGRATION
C
C RESULT - APPROXIMATION TO THE INTEGRAL I.
C RESULT IS CALCULATED BY APPLYING
C THE 21-POINT GAUSS-KRONROD RULE
C (RESK), OBTAINED BY OPTIMAL
C ADDITION OF ABSCISSAE TO THE
C 10-POINT GAUSS RULE (RESG).
C
C ABSBRR - ESTIMATE OF THE MODULUS OF THE
C ABSOLUTE ERROR, WHICH SHOULD NOT
C EXCEED ABS(I-RBSULT)
C RBSABS - APPROXIMATION TO THE INTEGRAL J
C
C RESASC - APPROXIMATION TO THE INTEGRAL OF
C ABS(F-I/(B-A)) OVER (A,B)
C
C .. SCALAR ARGUMENTS ..
REAL A, ABSBRR, B. RBSABS, RESASC, RESULT
C .. FUNCTION ARGUMENTS ..
REAL P
C
C .. LOCAL SCALARS ..
REAL ABSC, CENTRE. DHLGTH, EPMACH, PC, PSUM, PVAL1, PVAL2,
* HLGTH, RBSG, RESK, RBSKH, UPLOW
INTEGER J
C .. LOCAL ARRAYS ..
REAL FVK10), FV2MO), WG(10), WGK( 1 1 > , XGKM1)
C .. FUNCTION REFERENCES ..
REAL X02AAF, X02ABP
C
C
C THE ABSCISSAE AND WEIGHTS ARE GIVEN FOR THE
C INTERVAL (-1,1) . BECAUSE OP SYMMETRY ONLY THE
C POSITIVE ABSCISSAE AND THEIR CORRESPONDING
C WEIGHTS ARE GIVEN.
C XGK - ABSCISSAE OP THE 21-POINT GAUSS-KRONROD RULE
C XGK(2), XGK(4), ABSCISSAE OF THE 10-POINT
C GAUSS RULE
C XGKM), XGK(3), ABSCISSAE WHICH
-------
283
C ARE OPTIMALLY ADDED TO THE 10-POINT
C GAUSS RULE
C WGK - WEIGHTS OP THE 21-POINT GAUSS-KRONROD RULE
C WG WEIGHTS OP THE 10-POINT GAUSS RULE,
C CORRESPONDING TO THE ABSCISSAE XGK(2),
C XGK(4), ... WG(1), WG(3), ... ARE SET
C TO ZERO.
C
DATAXGKM), XGK(2). XGK(3), XGK(4), XGK(5), XGK(6), XGK(7),
* XGK(8). XGK(9). XGK(10). XGK(11) /O.9956571630258080807355272
* 807B+00.0.9739065285171717200779640121E+00.
* 0.9301574913557082260012071801E+00.0.865063366688984510732096
* 6884B+00,0.7808177265864168970637175783B+00,
* 0.6794095682990244062343273651B+00.0.562757134668604683339000
* 0993E+00.0.4333953941292471907992659432E+00.
* 0.2943928627014601981311266031B+00,0.148874338981631210884826
* 0011E+00.0.0/
DATAWGKd), WGK(2), WGK(3), WGK(4). WGK(5), WGK(6), NGK(7),
* WGK(8). WGK(9)/ WGK(10), WGK(11) /O.1169463886737187427806439
* 606B-01,0.3255816230796472747881897246E-01,
* 0.5475589657435199603138130024B-01,0.750396748109199527670431
* 4092B-01.0.9312545458369760553506546508B-01.
* 0.10938715880229764189921059038+00.0.123491976262065851077958
* 1098E+00.0.13470921731147332592805400188+00.
* 0.1427759385770600807970942731B+00,0.147739104901338491374841
* 5160E+00.0.1494455540029169056649364684B+00/
DATA WG(1 ) , WG(2 ) , WG(3 > , WG(4). WG(5), WG(6 > , WG(7), WG(8),
* WG(9), WG(10) /O.0,0.66671344308688137593568809898-01,0.0,
* 0.14945134915058059314577633978+00,0.0,0.21908636251598204399
* 553493428+00,0.0,0.26926671930999635509122692168+00,0.0,
* 0.2955242247147528701738929947B+00/
BPHACH = X02AAPM.O)
UPLOW = X02ABPM .0)
C
C LIST OP MAJOR VARIABLES
C
C CENTRE - MID POINT OF THE INTERVAL
C HLGTH - HALP LENGTH OP THE INTERVAL
C ABSC - ABSCISSA
C PVAL* - FUNCTION VALUE
C RBSG - 10-POINT GAUSS FORMULA
C RBSK - 21-POINT GAUSS-KRONROD FORMULA
C RBSKH - APPROXIMATION TO MEAN VALUE OF F OVER
C *PC
RBSABS = ABSCRBSK)
-------
284
DO 20 J=1,10
ABSC = HLGTH*XGK(J)
FVAL1 = F(CBNTRB-ABSC)
PVAL2 = P(CBNTRB+ABSC)
PV1(J) = PVAL1
FV2CJ) = PVAL2
PSUH = PVAL1 + PVAL2
RESG = RBSG + HG(J)*PSUH
RBSK = RESK + HGK(J)*PSUH
RESABS = RBSABS + WGK(J)*(ABS(PVAL1)+ABS(PVAL2))
20 CONTINUE
RBSKH = RESK*0.5B+00
RESASC = WGKM1 ) *ABS ( PC-RBSKH)
DO 40 J=1,10
RBSASC = RBSASC + WGK(J)*(ABSCPV1(J)-RBSKH)+ABS(PV2( J)
* -RBSKH))
40 CONTINUE
RESULT = RBSK*HLGTH
RESABS = RESABS*DHLGTH
RESASC = RBSASC*DHLGTH
ABSBRR = ABSC(RBSK-RBSG)*HLGTH)
IP (RESASC.NB.O.B+00) ABSERR = RBSASC*AHIN1(0.1B+01,(0.2E+03*
* ABSBRR/RBSASC)**1.580)
IP (RBSABS.GT.UPLOH/( 0 . 5E+02*BPMACH) ) A-BSBRR =
* AMAX1(BPMACH*RBSABS*0.5B+02,ABSBRR)
RETURN
END
INTEGER PUNCTION P01AAP(IPAIL, ERROR, SRNAMB)
C MARK 1 RELEASE. NAG COPYRIGHT 1971
C MARK 3 REVISED
C MARK 4A REVISED, IBR-45
C MARK 4.5 REVISED
C MARK 7 REVISED (DEC 1978) (APR 1979)
C RETURNS THE VALUE OF ERROR OR TERMINATES THE PROGRAM.
C IP A HARD FAILURE OCCURS, THIS ROUTINE CALLS A FORTRAN AUXILIARY
C ROUTINE P01AAZ WHICH GIVES A TRACE, A FAILURE MESSAGE AND HALTS
C THE PROGRAM
INTEGER ERROR, IFAIL, NOUT
DOUBLE PRECISION SRNAME
C TEST IP NO ERROR DETECTED
IF (ERROR.BQ.O) GO TO 20
C DBTBRMINB OUTPUT UNIT FOR MESSAGE
CALL X04AAP (O.NOUT)
C TEST FOR SOFT FAILURE
IF (MOD(IPAIL,10).BQ.1) GO TO 10
C HARD FAILURE
WRITE (NOUT,99999) SRNAMB, ERROR
C STOPPING MECHANISM MAY ALSO DIFFER
CALL P01AAZ (X)
C STOP
C SOFT FAIL
C TBST IP ERROR MESSAGES SUPPRESSED
10 IF (MOD(IFAIL/10,10).BQ.O) GO TO 20
WRITE (NOUT,99999) SRNAMB, ERROR
20 P01AAF = ERROR
RETURN
-------
285
99999 FORMAT (1HO, 38HERROR DETECTED BY NAG LIBRARY ROUTINE , A8,
* 11H - IFAIL = , IS//)
END
SUBROUTINE P01AAZ
C MARK 2 RELEASE. TOM THACKER AND JOYCE CLARKE OBG OXFORD
C MARK 6 REVISED.
C CALL TRACE
STOP
END
C AUTO EDIT 20 SEP 76
REAL FUNCTION X02AAF(X)
C NAG COPYRIGHT 1975
C EDITED BY JOYCE CLARKE OXFORD OBG NUCLEAR PHYSICS 03RD OCT 1976
C FORTRAN MACRO VERSION FDIA26.TBC
C MARK 4.5 RELEASE
C * EPS *
C RETURNS THE VALUE EPS WHERE EPS IS THB SMALLEST
C POSITIVE
C NUMBER SUCH THAT 1.0+ EPS > 1.0
C THE X PARAMETER IS NOT USED
C FOR ICL 1900
C X02AAF = 2.0**(-37.0>
REAL X
X02AAF = 9.54B-7
C X02AAF = "146400000000
RETURN
END
C AUTO EDIT 17 OCT 76
REAL FUNCTION X02ABF(X)
C NAG COPYRIGHT 1975
C EDITED BY JOYCE CLARKE OXFORD OBG NUCLEAR PHYSICS 03RD OCT 1976
C FORTRAN MACRO VERSION FDIA26.TEC
C MARK 4.5 RELEASE
C * RMIN *
C RETURNS THB VALUE OF THE SMALLEST POSITIVE REAL FLOATING-
C POINT NUMBER EXACTLY REPRESBNTABLB ON THB COMPUTER
C THB X PARAMETER IS NOT USED
C FOR ICL 1900
C X02ABF = 2.0**(-257.0)
REAL X
C X02ABF = "000400000000
X02ABF = 5.4B-79
RETURN
END
C AUTO EDIT 17 OCT 76 -
REAL FUNCTION X02ACPCX)
C NAG COPYRIGHT 1975
C EDITED BY JOYCE CLARKE OXFORD OBG NUCLEAR PHYSICS 03RD OCT 1976
C FORTRAN MACRO VERSION FDIA26.TBC
C MARK 4.5 RELEASE
C * RMAX *
C RETURNS THB VALUE OF THB LARGEST POSITIVE REAL FLOATING-
C POINT NUMBER REPRBSBNTABLB ON THB COMPUTER
-------
286
C FOR ZCL 1900
C X02ACP = (2.0 - 2.0**(-36.0»--2.0**25
-------
293
species according to Y , and between species; the chemical and physical
form of the compound depositing on the vegetation (i.e., in determining
whether it is initially retained); and the presence of other vegetation
which may interfere with interception by the species of concern. A default
value for an interception fraction for TOX-SCREEN may be taken from some
work of Morton et al. (1967) in which an interception of approximately 40%
of applied herbicides was measured (Hoerger and Kenaga, 1972). This value
of r may be more appropriate for organic chemicals than the Regulatory
Guide value or Chamberlain's value, although a great deal of uncertainty
2
still exists. A default value for Y might be 150 g/m , consistent with
values reported by Chamberlain (1971) and Booth and Kaye (1971). The
weathering constant, ^g-» is quite dependent on climatic factors, plant
surface, exposed surface area, and the form of the compound. Although a
value of 0.05 day , corresponding to a 14 day half-life, is reported by
Chamberlain and in the Regulatory Guide, a somewhat smaller value of A_. is
indicated for some organics (Hoerger and Kenaga, 1972). There is
undoubtedly a large range in values of A.,, due to the variability in the
£>L
factors affecting loss. It should be noted that X . does not include loss
due to grazing.
The value of t will vary depending on grazing conditions, if a
pasture is being considered. The value used in the Regulatory Guide is 30
days for grasses.
The total concentration in plants is calculated in TOX-SCREEN by
summing concentrations due to root uptake and interception. As can be seen
from the preceding discussion, there is a large uncertainty associated with
these calculations due to the variability in parameters used. Because it
is believed that grasslands would intercept depositing compounds to a
greater degree than many other crops, based strictly on consideration of
surface-to-volume ratios, it may be conservative to use parameter values
pertinent to grasslands for all types of vegetation in estimating
concentrations due to interception.
-------
294
APPENDIX F
REFERENCES
1. Baes, C. F., Ill, "Prediction of Radionuclide K Values From
Soil-Plant Concentration Ratios," Trans. Am. Nucl. Soc.. Vol. 38
(in press).
2. Booth, R. S. and S. V. Kaye, A Preliminary Systems Analysis Model
of Radioactivity Transfer to Man from Deposition in a Terrestrial
Environment. ORNL/TM-3135, Oak Ridge National Laboratory (1971).
3. Chamberlain, A. C., "Interception and Retention of Radioactive
Aerosols by Vegetation," Atmos. Environ. 4:57-78 (1970).
4. Hoerger, F. and E. E. Kenaga, "Pesticide Residue on Plants:
Correlation of Representative Data as a Basis for Estimation of
Their Magnitude in the Environment," pp. 9-28 in Global Aspects
of Chemistry. Toxicology and Technology as Applied to the Environment.
Vol. I, F. Coulston and F. Korte, Eds., Academic Press, Inc., New
York, New York (1972).
5. Karickoff, S. W., D. S. Brown, and T. A. Scott, "Sorption of
Hydrophobic Pollutants on Natural Sediments," Water Res.
13: 241-248 (1979).
6. Mackay, D., "Correlation of Bioconcentration Factors," Environ. Sci.
Techno1. 16: 274-278 (1982).
7. McDowell-Boyer, L. M. and D. M. Hetrick, A Multimedia Screening-Level
Model for Assessing the Potential Fate of Chemicals Released to the
Environment. ORNL/TM-8334, Oak Ridge National Laboratory (1982).
8. Means, J. C., S. G. Wood, J. J. Hassett, and W. L. Banwart,
"Sorption of Amino- and Carboxy-Substituted Polynuclear Aromatic
Hydrocarbons by Sediments and Soils," Environ. Sci. Techno1.
16: 93-98 (1982).
9. Morton, H. L., E. D. Robison, and R. E. Meyer, "Persistence of
2,4-D, 2,4,5-T, and Dicamba in Range Forage Grasses," Weeds
15: 268-271 (1967).
10. Neely, W. B., "Complex Problems - Simple Solutions," Chemtech
249-251 (April 1981).
-------
295
11. Trabalka, J. R., Personal Communication, Oak Ridge National
Laboratory, Oak Ridge, Tennessee (April 1982).
12. USNRC, Calculation of Annual Doses to Han From Routine Releases
of Reactor Effluents for the Purpose of Evaluating Compliance
with 10 CFR Part 50. Appendix I. Regulatory Guide 1.109,
Revision 1, Washington, D.C. (1977).
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47. Roseanne Aaberg, Battelle Northwest, P.O. Box 999,
Richland, WA 99352.
48. Herman A. Birnbaum, Toxicology and Environmental Science, Calgon
Corporation, P.O Box 1346, Pittsburgh, PA 15230.
49. Robert G. Butz, Velsicol Chemical Corporation, 341 E. Ohio
Street, Chicago, IL 60611.
50. Jeffrey Carlson, Department of Food and Agriculture, 100 Cambridge
Street, Boston, MA 02202.
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TS-769, Washington, D.C. 20460.
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58102.
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and Drug Administration, 200 C Street, S.W., Washington, D.C.
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54. Jim Falco, U.S. Environmental Protection Agency, Washington,
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55. Jerry B. Hook, Center of Environmental Toxicology, Michigan State
University, East Lansing, MI 48824.
56. R. S. Kinerson, Office of Toxic Substances, U.S. Environmental
Protection Agency, Mail Stop TS-798, 401 M Street, S.W.,
Washington, D.C. 20460.
57. Joan Lefler, Office of Toxic Substances, U.S. Environmental
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Washington, D.C. 20460.
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59. Allan Moghissi, U.S. Environmental Protection Agency, Washington,
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60. Lee Mulkey, Environmental Research Laboratory, U.S. Environmental
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61. Annette Nold, Office of Toxic Substances, U.S. Environmental
Protection Agency, Mail Stop TS-798, 401 M Street, S.W.,
Washington, D.C. 20460.
62. Carolyn Offutt, Office of Pesticide Programs, U.S. Environmental
Protection Agency, 401 M Street, S.W., Washington, D.C. 20460.
63. R. A. Peloquin, Battelle Northwest Laboratories, Sigma 3,
P.O. Box 999, Richland, WA 99352.
64. Joe C. Reinert, Hazard Evaluation Division, Office of Pesticide
Programs, U.S. Environmental Protection Agency, Washington, D.C.
20460.
65. Jim Roberts, Science Applications, Inc., 1 Woodfield Place Bldg.,
1701 E. Woodfield Road, Suite 819, Schaumburg, IL 60195.
66. K. J. Roberts, Ministry of the Environment, 135 St. Clair Avenue
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67. J. N. Rogers, Division 8324, Sandia Laboratories, Livermore,
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72-122. William Wood, Office of Toxic Substances, U.S. Environmental
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Washington, D.C. 20460.
123. Frank Wobber, Ecological Research Division, ER-75, U.S.
Department of Energy, Washington, D.C. 20545.
124. G. Zukovs, Pollution Control Branch, Ministry of the Environment,
135 St. Clair Avenue West, Toronto, Ontario, M4V 1P5, Canada.
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-_:. NO. e< Pign
' 20. Security Class (Thu Page)
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