United States
Environmental Protection
Agency
Office of Water
(4305)
EPA-823-R-04-001
January 2004
&EPA AQUATOX (RELEASE 2)
MODELING ENVIRONMENTAL FATE
AND ECOLOGICAL EFFECTS IN
AQUATIC ECOSYSTEMS
VOLUME 1: USER'S MANUAL
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AQUATOX (RELEASE 2)
MODELING ENVIRONMENTAL FATE
AND ECOLOGICAL EFFECTS
IN AQUATIC ECOSYSTEMS
VOLUME 1: User's Manual
Richard A. Park,
Jonathan S. Clough,
and
Marjorie Coombs Wellman
JANUARY 2004
U.S. ENVIRONMENTAL PROTECTION AGENCY
OFFICE OF WATER
OFFICE OF SCIENCE AND TECHNOLOGY (MAIL CODE 4305T)
WASHINGTON DC 20460
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DISCLAIMER
This document has been approved for publication by the Office of Science and Technology, Office
of Water, U.S. Environmental Protection Agency. Mention of trade names, commercial products or
organizations does not imply endorsement or recommendation for use.
This document describes an aquatic ecosystem simulation model. It is not intended to serve as
guidance or regulation, nor is the use of this model in any way required. This document cannot
impose legally binding requirements on EPA, States, Tribes, or the regulated community.
ACKNOWLEDGMENTS
This model has been developed and documented by Dr. Richard A. Park of Eco Modeling
and Jonathan S. Clough of Warren Pinnacle Consulting, Inc. under subcontract to Eco Modeling.
The EPA work assignment manager, Marjorie Coombs Wellman of the Health Protection and
Modeling Branch, Office of Science and Technology, tested the model and helped prepare this
report. Model documentation was funded originally with Federal funds from the U.S.
Environmental Protection Agency, Office of Science and Technology under contract number 68-C4-
0051 to The Cadmus Group, Inc. Significant enhancements to the model and revision of the
documentation has been performed under subcontract to AQUA TERRA Consultants, Anthony
Donigian, Work Assignment Manager, under EPA Contracts 68-C-98-010 and 68-C-01-0037.
Additional Federal funding for program development has come from the U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics, through Purchase Orders 7W-0227-
NASA and 7W-4330-NALX to Eco Modeling and a Work Assignment to AQUA TERRA
Consultants.
Further technical and financial support from Donald Rodier of the Office of Pollution
Prevention and Toxics and from David A. Mauriello and Rufus Morison, formerly of that Office, is
gratefully acknowledged. Marietta Echeverria, Office of Pesticide Program, contributed to the
integrity of the model through her careful analysis and comparison with EXAMS. The model
underwent independent peer review by Donald DeAngelis, Robert Pastorok, and Frieda Taub, whose
diligence is greatly appreciated.
11
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TABLE OF CONTENTS
DISCLAIMER ii
ACKNOWLEDGMENTS ii
TABLE OF CONTENTS iii
PREFACE v
1 QUICK START 1
1.1 System Requirements 1
1.2 Installation 1
1.3 Starting 2
1.4 Loading a Study 2
1.5 Loading a Library 5
1.6 Running and Saving a Simulation 7
1.7 Overview of AQUATOX Release 2 Enhancements 9
Enhanced Scientific Capabilities 10
Additional User Interfaces 11
Corrected Errors 11
2 MODEL COMPONENTS 13
2.1 State Variables 13
Selection 13
2.2 Initial Conditions, Loadings, and Parameters 15
Introduction 15
Dissolved Organic Toxicant 16
Oxygen, Nutrients 19
Detritus 21
Plants 23
Animals 24
Temperature 33
Light 34
Water Volume 34
pH 35
Setup 35
Control Setup 37
Uncertainty Setup 39
Output Setup 40
2.3 Displaying Output 41
Graphs 41
Tables 47
2.4 Exporting Results 47
2.5 Site Information 49
2.6 Using the Toolbar 53
2.7 Running Batch Mode 54
2.8 The Wizard 56
Step 1: Simulation Type 56
Step 2: Simulation Time Period 57
Step 3: Nutrients 58
Step 4: Detritus 58
Step 5: Plants to Simulate 60
iii
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Step 6: Invertebrates to Simulate 61
Step 7: Fish Species 61
Step 9: Water Volume Data 64
Step 10: Water Temperature 65
Step 11: Wind Loadings 66
Step 12: Light Loading 67
Step 13: pH of Water 68
Step 14: Inorganic Solids 69
Step 15: Chemicals to Simulate 70
Step 16: Inflow Loadings 71
Step 17: Direct Precipitation Loadings 72
Step 18: Point-source Loadings 72
Step 19: Nonpoint-source Loadings 73
Wizard Completion 73
3 DATA CONSIDERATIONS 75
3.1 Toxicant 75
3.2 Nutrients and Remineralization 75
3.3 Plants 76
3.4 Animals 76
3.5 Inorganic Sediments 77
4 CALIBRATION FOR A CONTAMINATED STREAM 79
4.1 Introduction 79
4.2 Review Initial Conditions and Driving Variable Data 79
4.3 Ecosystem Calibration 94
Hydrodynamics 96
Biomass 97
4.4 PCB Calibration 110
5 APPLICATIONS 117
5.1 Recovery Following PCB Remediation 117
5.2 Possible Response to Invasive Snail Species 119
5.3 Nutrient Enrichment 124
5.4 Pesticides in a Pond Mesocosm 133
5.5 Multiple Stressors Due To Agricultural Runoff 139
Controlling Nutrients and Sediments 139
Controlling Pesticides 147
Controlling All Pollutants 150
6 UNCERTAINTY ANALYSIS 152
7 QUALITY ASSURANCE 165
REFERENCES 169
References Cited 169
Bibliography for Biotic Parameters 169
Bibliography for Chemical Parameters 172
IV
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PREFACE
The Clean Water Act— formally the Federal Water Pollution Control Act Amendments of
1972 (Public Law 92-50), and subsequent amendments in 1977, 1979, 1980, 1981, 1983, and 1987—
calls for the identification, control, and prevention of pollution of the nation's waters. In the
National Water Quality Inventory: 2000 Report (US EPA, 2002), 40 percent of assessed river
lengths and 45 percent of assessed lake areas were impaired for one or more of their designated uses.
The most commonly reported causes of impairment in rivers and streams were pathogens, siltation,
habitat alterations, oxygen-depleting substances, nutrients, thermal modifications, metals (primarily
mercury), and flow alterations; in lakes and reservoirs the primary causes included nutrients, metals,
siltation, total dissolved solids, oxygen-depleting substances, excess algal growth and pesticides.
The most commonly reported sources of impairment were agriculture, hydrologic modifications,
habitat modification, urban runoff/storm sewers, forestry, nonpoint sources, municipal point sources,
atmospheric deposition, resource extraction and land disposal. There were 2838 fish consumption
advisories, which may include outright bans, in 48 States, the District of Columbia and American
Samoa. Of these 2838 advisories, 2242 were due to mercury, with the rest due to PCBs,
chlordane, dioxin, and DDT (US EPA, 2002). States are not required to report fish kills for the
National Inventory; however, available information for 1992 indicated 1620 incidents in 43 States,
of which 930 were attributed to pollution, particularly oxygen-depleting substances, pesticides,
manure, oil and gas, chlorine, and ammonia.
New approaches and tools, including appropriate technical guidance documents, are needed
to facilitate ecosystem analyses of watersheds as required by the Clean Water Act. In particular,
there is a pressing need for refinement and release of an ecological risk methodology that addresses
the direct, indirect, and synergistic effects of nutrients, metals, toxic organic chemicals, and non-
chemical stressors on aquatic ecosystems, including streams, rivers, lakes, and estuaries.
The ecosystem model AQUATOX is one of the few general ecological risk models that
represents the combined environmental fate and effects of toxic chemicals. The model also
represents conventional pollutants, such as nutrients and sediments, and considers several trophic
levels, including attached and planktonic algae, submerged aquatic vegetation, several types of
invertebrates, and several types of fish. It has been implemented for streams, small rivers, ponds,
lakes, and reservoirs.
AQUATOX Release 2 is described in these documents. Volume 1: User's Manual
describes the usage of the model. Because the model is menu-driven and runs under Microsoft
Windows on microcomputers, it is user-friendly and little guidance is required. Volume 2:
Technical Documentation provides detailed documentation of the concepts and constructs of the
model so that its suitability for given applications can be determined. Volume 3: User's Manual
for the BASINS Extension to AQUATOX describes how AQUATOX can be run with site
characteristics and loadings input directly from the BASINS data layers or from the HSPF and
SWAT watershed models.
v
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VI
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
1 QUICK START
1.1 System Requirements
Minimum Requirements
• PC Compatible, Pentium 133 MHz
• Microsoft Windows 95
• 64 MB RAM
• 30 MB free disk space
Recommended
• Pentium PC, 600 MHz or higher
• Microsoft Windows NT, 2000, or XP
• 128 MB RAM
• 75 MB free disk space
1.2 Installation
To install AQUATOX, run AQTXSetup.exe, the files will unzip, and InstallShield will
lead you through the straightforward installation.
WinZip Self-Extractor -
This program will install AQUATOX RELEASE 2
Cancel
About
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
1.3 Starting
Double-click on the AQUATOX icon in Windows to open the program. Alternatively,
you can double-click on a study file (with the suffix "aps") listed in Windows Explorer.
Then a "splash" window will open briefly, indicating that the model is still subject to
modification and that, while the model is in the public domain, there are parts of the model
interface that are proprietary.
AQUATOX
EPA Release 2
(File Version 2.00)
Richard A. Park and Jonathan S. Clough
Eco Modeling 2004
RESTRICTED RIGHTS NOTICE: Use, duplication, or disclosure
is subject to restrictions as set forth in subdivision (g)(3)(1) of
the Rights in Data-General, Alternate III Clause at 52.227-14
of the Federal Acquisition Regulation
This software and associated files are distributed
"as is" without any warranties of performance or
fitness for any particular purpose. No warranties
are expressed or implied.
1.4 Loading a Study
The study is the basic unit in AQUATOX; it contains site data, loadings, and parameter
values used in a simulation; and it may contain results from a prior simulation. Usually we
model one study at a time; however, a batch mode is described later. Click on File in the menu
bar to get the pull-down file menu, and click on Open. You will then be given a choice of
AQUATOX study files to load. For this example, we will choose EsfenPond.aps.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
AQUATOX
File View Library itudy Window Help
ml
Select File To Load
File Name:
iSfenPond.aps
Directories:
C:\AQUATOX\Studies
Z) Coralville.aps
j DorParathion.aps
Hi EFPoplarCr.aps
uuuuuuuuuuuJuMuuuuuuUtUuLuMMU
&AQUATOX
ESfenPond.aDs
Zl Nockamixon.aps
Zl Onondaga.aps
Zl OnonFine8990.aps
Zl SWATI.aps
'J
d
List Files of lype: Drives:
AQUATOX Studies [*.APS] H \m c: Q
d
OK
X Cancel
Delete
The main window will appear with the name of the study, the list of state variables used,
and buttons from which to choose various operations. The Study Name can be edited; it is
separate from the name of the file, which you loaded and which is displayed at the top of the
screen. The study name is used as a title in graphical output, so is best capitalized. The Status
window tells when the perturbed and control runs were made, and warns if they are incomplete.
The Initial Conditions button brings up a screen with all the state variable values at the
beginning of a simulation. The Chemical button brings up a list of organic chemicals in the
study; selecting a particular chemical brings up the loading screen for that chemical, from which
you can access the chemical parameter and toxicity screens. Double clicking on Dissolved org.
toxicant at the top of the list of state variables and driving variables has the same effect. The
Site button loads the site characteristic screen. Setup allows the user to set the dates of the
simulation, and to specify various options such as the control setup, uncertainty analysis, and
saving biologic rates. Notes provides a window for writing comments on the study. Perturbed
starts the simulation with changed conditions, such as with a toxicant. Control starts a
simulation without the stressor; the user can use Control Setup as mentioned above to specify
what is changed and what is held constant. Output presents the results as a series of charts and
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
graphs. The output can be exported as database files by clicking on Export Results or Export
Control. There also are Help and Wizard buttons.
1 £?ESfenPond.aDS- Main Window
AQUATOX: Study Inf
Version 2.00
Study Name: [ESFENVALERATE, POND
Model Run Status:
Toxics Run: 12-4-03 1:33 PM
Control Run: 12-4-03 1:32 PM
Data Operations: Program Operations:
g||[] Initial Conds.
SfPjr Chemical
^ Site
jrB Setup
LlA Notes
[ji^ Perturbed
1 Control
•
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AOUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
1.5 Loading a Library
There is a basic dichotomy in working with AQUATOX. You have a choice of editing
database files in the general library or of opening a particular study. Studies are self-contained
files with all the information on a particular simulation, including initial conditions, loadings,
parameter values, first and last dates for the simulation, and simulation results. Parameter values
can be edited, but changes apply only to that study. The intent is to be able to archive a model
application so that all assumptions and results are saved for future reference. This is especially
important for regulatory applications that are subject to later review. (Of course, you also should
archive the version of AQUATOX that was used.)
Parameter and site records that will be used repeatedly should be saved in the appropriate
library. Each library is a database in Paradox format with records for each organism, chemical,
or site. Generally, editing of parameters should be done in the library mode to maintain
consistency among studies. In contrast, if a site record is only going to be used for a single
study, it may be desirable to create it within the study. Study records can be copied into the
library; so the choice of where to edit parameters is up to the user. It is the user's responsibility,
though, to synchronize parameter values among studies. This can be done by saving a record to
a library and then loading that record to each study.
To create or edit a record for general use, click on Library in the menu bar. You can
then click on the specific library from the pull-down menu. Alternatively, you can click on the
appropriate library icon on the task bar (Animals, Chemicals, Plants, Suites, or Remineralization).
§| AQUATOX-- Main Window
File View | Library Study Window Help
Animals,., .
2lJ
Plants,,,
Sites,,,
Remineralization,,.
Library Help
Dl
(ATQX: Study Informal
Version 2.00
In this example we will choose Chemicals and Default in sequence. The first record is for
2,4-D Acid. We can click on the arrows in the upper left or can search for a particular name to
move through the database. Use the arrow to move to Esfenvalerate. When you leave a database
you will be asked whether you want to save it or lose any changes you might have made. The
frequent requests for confirmation may be irritating, but they are for your protection. Any time
you leave a record you may back out of a change by not saving it. There is no undo capability,
so if you save a change, you are stuck with it, except by re-editing the entire record. It is easy to
print a record, and you are encouraged to make a hard copy before you make extensive changes.
Some variables are not used at this time and are so indicated by being grayed out.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
AQUATOX- Edit Chemical
Chemical Esfenvalerate Find | New |
Chemical Properties and Fate
CAS Registry No. J51630-58-1 Chemical is a Base V
Molecular Weight | 419.91 Referent
Help |
Data:
To xi city Data
es;
Dissociation Constant | 0 pKa JPKA Reference T
_ -. , | 0.002 ;.[.r JKiiisel el ,il. in jiiess
Henry's Law Constant | 6.1E-8 aim. m^jtiol Jpiranha
| 11- ' i !• i •. |u.s. t..i'».A. w
Octanol-Water , ,
Partition Coefficient
5.8 (log)
Piranha
Days to Reach Equilibrium: 152.73
(Calculated Using Octanol-Water Partition Coefficient)
Calculate Sad/Detritus Water Partition Coefficient
dynamically using pH, pkA and LogKOW R
at pH 7, KPSED would be:
1.496E*5 L/kjOC
Activation Energy for
Temperature
Rate of Anaerobic
Microbial Degradation
Max. Rate of Aerobic
Microbial Degradation
Uncatalyzed
hydrolysis constant
Acid catalyzed
hydrolysis constant
Base catalyzed
hydrolysis constant
Photolysis Rate
Weibull Shape
Parameter
18000 cal/mol
default
0 i/d
0.35 IM
Pay et al.,W
0 I /mol • d
0 I /mol • d
0.087 '/d
Schimmel et al. "S3
0.33
Mackay et al., 1992
You can examine the toxicity data for the chemical, by clicking on the Toxicity Data
button at the top right. Toxicity can be estimated for several organisms, given data for others
indicated in bold type. For example, change the LCso for trout from 1.3177 to 1.4 (or any other
value). You will then get a window presenting you with other organisms for which the LCso can
be estimated. If any have zero values, they will be checked automatically. The estimation
procedures were developed with pesticide databases (Mayer and Ellersieck, 1986, Suter et al.,
1986), so they should be applied with caution to industrial chemicals.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
Add an Animal Toxicity Record
g Print
1
.4
Ammalnarne j LC50 lug/Li | LC50 exp hme (hj| LC50 comment |Elim rate const (Vd)JBiotmsfm rate(1/dl|EC50growth(ug/L)|Growthe«p [h)|EC50re_i.
Trout 1.3 96 Regression on Bluegill 3E-04 0 0.1318
Bluegill 0.44 96 US EPA W.p 68 1.2E-03 0 0.044
Bass 0.5 96 Regression on Bluegill 5E-04 0 0.1483
Catfish 461 96 Regression on Bluegill 6E-04 0 10.0793
Minnow 0.22 96 U.S. E.P.A., 1989 2.9E-03 0 0.022
Daphnia 0.03 48 " 1.45E-02 0 0.003
Chironomid 0.3 48 Regression on Daphnia 8.4E-03 0 0.0326
Stoneflji 2.9 96 Regression on Daphnia 6.4E-03 0 0.001
Ostracod 0.7 48 Regression on Daphnia 1.1E-02 0 0.07
Amphipod 0.02 48 U.S. E.P.A., < 0.02 1.1E-02 0 0.002
Other 0 96 OE»00 0 0
^^^^^^S^^£^^^^ffiSffP"™P8Pr ™" x|
u
]:••':. •i.'- . ; -'p,,,.,, , Add a Plant Toxicity Record |||||j M Prln
£
4
Plant name I EC50 photo (ug/L)l EC50 exp. time (h)| EC50 dislodge (ug/L)| EC5Q c
Greens 0 24 0 AQUIF
Diatoms 0 24 0
Bluegreero 28000 24 0 AQUIF
Macrophytes 0 24 0
U
Using the LC50 of this fish: Calculate Regression LCSQs for
these fish:
Trout Trout
Bluegill Bluegill
Minnow Bass
Catfish
Minnow
Selected LC50' HA (Hold down and click to
select multiple records)
Mote Information -••' I j Cancel |
k
96
96
96
96
96
48
48
96
48
48
96 _
£
Pjug/LllLS--
0
0
280000 —
0
^
Estimate elimination rate constants using octanol water coefficient J j
Perform fish regressions
Estimate plant LCSOs using EC50 to LCSO ratio
Perform invertebrate regressions
Estimate animal EC50s using LCSO to EC50 ratio
Help
1.6 Running and Saving a Simulation
You can run both Perturbed and Control simulations to see the impacts of various
stressors. They can be run concurrently by clicking on first one and then the other. The results
can be exported in Excel, dBase, Paradox, or text formats. When you click on Export you will
be given a list of output variables to choose among, or you may choose to export all to GenScn,
the post-processor in BASINS (see Volume 3). The Output subdirectory is the default for saving
the results, but you may choose some other directory.
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AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 1
Export Results Us: T-i-jj J
•ft-.: 1'^ jus!
S ave in: |£il Output _J 4" IS CJ l==£l"
ft] 1 - 5fcream , x s T±] lCoralville.xls
fi] 1 - Bains Br calibration . xls Q lEOnondaga.xls
Ql-Bibbcalibration.xls ^]l-EOnondaga.xl5
Ql- Caldwell calibration.xls ^?)l H Onondaga.xls
^]l- calibration.xls »p |1 Trussvlle cal.xls
QlCheney.xls Ql WB.xls
1JJ ±J
File name:
^Savel
Save as type: Excel 97/2000 Format (K.xls) ^J Cancel
mat fK rJhl
1U *""'* DBase Format Kdbfj'
iKcel 5.0 Format fK.xlsl 1
-.V.. fiutf Comma Separated ("CSV) K j«. Pen.J
\
m.m t , j wm.m • i n i
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
AQUATOX- Select
Available Results: Results to Export:
T1 H20 (ug/L)
NH4 (mg/L) ~~
N03 (mg/L)
P04 (mg/L)
CO 2 (mg/L)
Oxygen (mg/L)
R detr sed (g/sq.m]
L detr sed (g/sq.m)
R detr diss (mg/L)
L detr diss (mg/L)
R detr part (mg/L)
L detr part (mg/L)
BuryRDetr (Kg/cu.m]
BuryLDetr (Kg/cu.m)
Water Vol [cu.m]
Temp [deg. C)
Wind (m/s)
Light (Ly/d)
pH [pH]
^•TIR detr sed fua/LI . •
T1L delr sed (ug/L) H£ — '
T1R detr diss (ug/L)
T1L detr diss (ug/L)
T1R detr part (ug/L)
T1L detr part (ug/L)
T 1 B uryR D etr (Kg/cu. m)
T1 BuryLDetr (Kg/cu.m)
T1 Diatoms (ug/L)
T1 Stigeoclonium, (ug/L)
T1 Blue-greens (ug/L)
TIMyriophyllum (ug/L)
T1 Chironomid (ug/L)
TIDaphnia (ug/L)
T1 Gastropod (ug/L)
T1 Predatory Zoop (ug/L)
T1Bluegill(ug/L)
T1 Shiner (ug/LJ
T1 Catfish (ug/L)
TILargemouth Bas (ug/L)
TILargemouth Ba2 (ug/L)
Secchi d (m)
Chloroph (ug/L) •*•
I
J>J|
1
» 1
1
< 1
d
Largemouth Ba2 (g/sq.m)
Largemouth Bas (g/sq.m)
Catfish (g/sq.m)
Shiner (g/sq.m)
Bluegill (g/sq.m)
Predatory Zoop (mg/L)
Gastropod (g/sq.m)
Daphnia (mg/L)
Chironomid [g/sq.m)
Myriophyllum (g/sq.m)
Blue-greens (mg/L)
Stigeoclonium, (g/sq.m)
Diatoms (mg/L)
Export All Results to GenScn
OK
1.7 Overview of AQUATOX Release 2 Enhancements
Release 2 has been designed to be as user-friendly as possible, while providing greatly
expanded analytical capability over Release 1. It follows MS Windows conventions in providing
buttons on the Task Bar to give the user direct access to most functions. It supports multiple
windows so that a user can edit parameters, plot previous results, and even run multiple
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 1
simulations simultaneously (although resources may be limited in earlier versions of MS
Windows). It has a powerful Wizard and context-sensitive Help files to guide the user through
an implementation.
»_-AQUATOX- Main Window
File View Library Study Window Help
Onon8990NewPRecov.aps-- Main Window
AQUATOX: Study Information
Version 1.89 Bet a
Study Name: ONONDAGA LAKE, NY
State and Driving Variables In Study
Model Run Status:
Toxics Run: 07-23-01 1-MPM
Control Run: 87-23-Ot 2:39 PM
Data Operations:
fjjfl InitialConds.
Program Operations:
Perturbed
Ammonia
Nitrate
Phosphate
Carbon dioxide
Oxygen
Refrac. sed. detritus
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac. detritus
Buried labile detritus
Diatornsl: [Cyclotella nana]
Greensl: [Greens]
Bl-greenl: [Cryptomonad]
SedFeedeM: [Tubifex tubifex]
SuspFeederl: [Daphnia]
Predlnvtl: [Rotifer, Brachionus]
LgForageFishl: [White Perch]
LgBottomFishl: [Cattish]
SmGameFishl: [Largemouth Bass, YOY]
LgGameFishl: [Largemouth Bass, Lg]
Water Volume
Temperature
Wind Loading
Light
pH
Result
1 ' ' ' '-
bed Gr
Add/delete
Task bar with Help
Multiple windows
•Jl
Cyclotella nan (mg/L)
- Greens (mg/L)
- Cryptomonad (mg/L)
-White Perch (mg/L)
Catfish (mg/LJ
•- Largemouth Ba2 (mg/L)
2/11 /1989 2/11/1991 2/t0/1393 2/10/1995 2/9/1997 2S/1999 2/8/2001
jgJHicroSQftPowefpQint-[E.,.J|gAqUATOX Professional
The changes fall in three categories.
Enhanced Scientific Capabilities
The model is much more powerful and can better represent a variety of environments,
especially streams and rivers compared to Release 1. Specific enhancements include:
• a large increase in the number of biotic state variables, with two representatives for each
taxonomic group or ecologic guild;
• the addition of bryophytes as a special type of macrophyte;
• a multi-age fish category with up to fifteen age classes for age-dependent
bioaccumulation and limited population modeling;
• an increase in the number of toxicants from one to a maximum of twenty, with the
capability for modeling daughter products due to biotransformations;
• disaggregation of stream habitats into riffle, run, and pool;
10
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 1
• mechanistic current- and stress-induced sloughing, light extinction, and accumulation of
detritus in periphyton;
• macrophyte breakage due to currents;
• computation of chlorophyll a for periphyton and bryophytes, as well as for
phytoplankton;
• fish biomass is entered and tracked in g/m2;
• entrainment and washout of animals, including fish, can occur during high flow;
• the options of computing respiration and maximum consumption in fish as functions of
mean individual weight using allometric parameters from the Wisconsin Bioenergetics
Model;
respiration in fish is density-dependent;
fish spawning can occur on user-specified dates as an alternative to temperature-cued
spawning;
elimination of toxicants is more robust;
settling and erosional velocities for inorganic sediments are user-supplied parameters;
uncertainty analysis now covers all parameters and loadings;
biotic risk graphs are provided as an alternative means of portraying probabilistic results;
limitation factors for photosynthesis are output along with the biotic rates; and
AQUATOX is now an extension to BASINS, providing linkages to geographic
information system data, and HSPF and SWAT simulations.
Additional User Interfaces
The model is even more user-friendly, taking full advantage of current Windows
capabilities on modern high-speed personal computers. Capabilities include:
a Wizard to guide the user through the setup for a new study;
context-sensitive Help screens;
multiple windows for simultaneous simulations and input and output screens;
a task bar that can be customized by the user;
enhanced graphics, including secondary Y axes; and
a hierarchical tree structure for choosing variables for uncertainty analysis.
Corrected Errors
Several errors were discovered and corrected during the course of continuing model
evaluation. Some of these may require recalibration of studies. The example studies provided
with the software have been recalibrated, but users may wish to check their own calibrations in
upgrading from various versions. The corrections include:
• a change in the bathymetric computations affecting the areas of the thermocline and
littoral zone (Release 1);
• removal of an unnecessary conversion from phosphate and nitrate, assuming that all
nutrient input is in terms of N and P; this could affect nutrient limitations (all versions);
11
-------
AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 1
• inclusion of an oxygen to organic matter conversion factor (a factor of 1.5) and inclusion
of specific dynamic action in the allometric computation offish respiration (Release 2
Beta Test only);
• adding a second-to-day conversion factor for inorganic sediment deposition; previously,
deposition of suspended sediments was much slower than expected (all versions);
• adding a conversion factor for wind measured at 10 m height to wind occurring at 10 cm
above the water surface in the volatilization computations; for some compounds this
could result in a two-fold reduction in volatilization (all versions);
• nitrification is formulated to occur only at the sediment-water interface (Release 1); and
• bioaccumulation, and hence toxicity, are constrained by the life span of an animal (all
versions).
At this point you may experiment with the various buttons and screens. You cannot hurt
anything; just don't save the edited data or the study when you exit the screens and AQUATOX
unless you Save As a different name. On the other hand, if you are more comfortable following
directions, read on, doing the operations as you go.
12
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
2 MODEL COMPONENTS
2.1 State Variables
Selection
State variables are those ecosystem components that are being simulated. These include
organism and detrital compartments and their associated toxicants (which are not listed in the
Study Information window), nutrients, dissolved oxygen, and other variables traditionally
considered driving variables, such as water inflow, temperature, pH, light, and wind.
AQUATOX is very powerful because you can add or delete state variables. It is even
possible to remove all biotic components in order to model a tank or other sterile system. In
general, the fewer state variables, the better. In particular, unnecessary state variables slow down
the simulation and create additional requirements for verification. This is especially true for
streams, which tend to be more dynamic and therefore slower to simulate. Nevertheless, often it
is desirable to model a food web rather than a food chain, for example to examine the possibility
of less tolerant organisms being replaced by more tolerant organisms as environmental
perturbations occur. The choice of which state variables to model depends to a large extent on
the purpose of the modeling application.
B «|a»B»|e> x,|aattl6
^ail^»|?Hl ^tS
2%-ZZ:1 " ;|",I,( ?,"-'•"> ^JaLxj
,4 QU4 7"OX: Sfuc/y information
Version 2.00
Study Name: JESFENVALERATE, POND
Model Run Status:
Perturbed Run: 12-4-03 1:33 PM
Control Run: 12-4-03 1:32 PM ^^^
Data Operations: I Program Open ---.
Q|||] Initial Conds.
•Jjfcr Chemical
C^ Site
J&l Setup
Oj Notes
IT^ Pertu ^^
U Conti
I
\sS Output
l% Export Results
% Exjiort Control
A" Edit With Wizard $> Help
d^a» - "s^ r
State and Driving Variables In Study
Dissolved org. tox 1: [Esfenvalerate] ^
Ammonia as N
Nitrate as N
delete "Macrophytel; [Myriophyllum]"?
|' OK ]| Cancel ]
OQI1<4,nBnj qtllTOtt
Diatomsl: [Diatoms]
Greensl: [Stigeoclonium, peri.]
SedFeedert: [Chironomid]
SuspFeedeM: [Daphnia]
SnaiH: [Gastropod]
Predlmrtl: [Predatory Zooplank.] ^_|
Add | Delete Edit j
^j
13
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Open the file Esfenpond.aps, if it is not already open. We will remove the macrophyte
compartment by highlighting it in the list, clicking on the Delete button, and confirming the
deletion. When the change is made, you will see a small warning in the upper left corner of the
main screen that the study has been modified.
Likewise, state variables can be added by clicking on the Add button and choosing from
the list. Let's add macrophytes back to the list of state variables.
Insert State Variable
Select State Variable to Insert:
Tot. Susp. Solids
Diatoms2
Greens2
Bl-green2
OtherAlgl
ptherAlg2
Macrophyte2 H
Shredderl
Shredder2
SedFeeder2
SuspFeeder2
Help |
±J
d
v/ OK | X Cancel
Note that the names of the taxonomic groups and ecologic guilds on the main study
screen are followed by the names of the specific groups in brackets. We have to specify the type
of macrophyte by highlighting Macrophytes and clicking on Edit, or by double-clicking on
Macrophytes. That will give us a double screen representing both the macrophytes and the
associated toxicant. Click on Load Data to load a specific plant record for macrophytes. In this
example, Chora and Myriophyllum are the only macrophytes listed; we highlight Myriophyllum
and click on OK. If there is no selection made you will receive an error message indicating that
there is no data associated with the state variable Macrophyte.
Anabaena
Asterionella
Attached blue-greens
Blue-greens
Chara
Cryptomonad
Cyclotella
Cyclotella nana
Diatoms
Dinoflagellate
Fontinalis
eriphyton, Diatoms
Periphyton, Greens
Default File (~ Other File
Default File- PlantPDB
14
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
2.2 Initial Conditions, Loadings, and Parameters
Introduction
Initial values and loadings are needed for all the state variables or compartments
simulated. These are input on the loadings screen. If one or more toxicants are modeled, then
initial concentrations associated with the biota can also be specified. The initial condition will
depend on when the simulation starts (which is specified in Setup). Initial conditions are often
unknown. A useful procedure is to run a simulation for several repetitive years and then use the
ending values as initial conditions, assuming steady state.
Constant loadings for plants and invertebrates can be considered as "seed" values,
although care should be taken to use small values or the loadings can dominate the simulation.
Even periphyton and zoobenthos may be maintained through drift from upstream, and a constant,
very small loading is appropriate. Likewise, macrophytes may die back in winter and sprout
from rhizomes; because rhizomes are not explicitly modeled, a very small loading is the
mechanism for reestablishing the population in the simulation.
Of course, upstream loadings may be significant inputs to a reach or lake. These may be
represented by constant or dynamic (time-varying) loadings. AQUATOX has a very flexible
interpolation routine to obtain daily values from irregular data points and even time series
occurring or extending outside the simulation period. Dynamic loadings can be entered directly
on the loadings screen, or they can be composed or obtained offline and imported into the model.
Imported data can be in a variety of formats, which are evident when the Import button is used.
Loadings can be altered by means of a multiplier; this is especially useful for analyzing various
loading scenarios. It also is a way to correct or convert data series. However, ordinarily the
multipliers are set to 1 for the Control simulation, so use for other than perturbations is
discouraged.
Diatoms'! : [Diatoms]
Initial Condition:
Loadings from Inflow:
{• Use Constant Loading of
__
" Use Dynamic Loadings K
[Date I Loading
mg/L
Multiply loading by
Exposure to: (Esfenvalerate
(of Diatomsl)
initial Condition:
pi «g/kg
Loadings:
{•' Use Constant Loading of
j_ ^^
t" Use Dynamic Loadings
Date
[Loading
ug*8
Import
Multiply loading by fl
Load Data
Edit Underlying Data | |i/..fl.K.....'| X Cancel I
15
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Initial conditions can be displayed for all state variables in a summary screen, obtained
by clicking on the Initial Conds. button on the main screen. In order to avoid conflicts with
other windows, you cannot edit the initial conditions in this screen; that is reserved for the
loading screens.
AQUATOX- Initial Conditions Entry Screen
State Variables' Initial Conditions:
Print
Parameters provide values for coefficients in the process equations. Although default
values are given, the user has great flexibility in specifying values to represent site-specific
species or groups. Parameters are available for editing and downloading from the general
libraries; they also may be site-specific and associated with particular studies.
The following sections discuss loadings and parameters according to type of state
variable.
Dissolved Organic Toxicant
Organic toxicant initial conditions and loadings are relatively straightforward. New to
Release 2 is the capability to indicate biotransformation to one or more daughter products,
accessed by clicking on the Biotransformation button. To use this capability the daughter
products have to be included as state variables. The biotransformation rate from one toxicant to
another is specified by the user for each type of organism and is entered on the toxicity screen.
16
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Edit Chemical Data
Dissolved org. tox 1: [Chlorpyrifos]
Initial Condition: Gas-phase cone.:
Loadings from Inflow:
£*" Use Constant Loading of
|0 ug/L Biotransformation
r Use Dynamic Loadings
Notes: start w/ dose on 6/16/86
Loadings from Point Sources
Use Const. Loading of |o g/d
Use Dynamic Loadings
Date Loading •*•!
(I'd
j Import j
Multiply loading by F|
Loadings from Direct Precipitation
Use Const. Loading of pj B*n2 - d
Use Dynamic Loadings
Load Data Edit Underlying Data
Biotransformation of Chlorpyrifos:
Aerobic Microb.JAnaerobic: In Algae:
lenthic Insect: Other Benthos: In Fish:
Add Spectes Specific Data I ] Remows Species Specific Data
^ Help j
f X Cancel! |
Clicking on the Edit Underlying Data takes one to the Chemical Properties and Fata
Data screen. The only new feature on this screen is that the sediment/detritus and water partition
coefficient can be calculated dynamically or entered manually by the user. The dynamic
calculation is based on the octanol-water partition coefficient and the degree of ionization using
Equation 212 as described by US EPA (2000b).
17
-------
AOUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
ftQUATOX- Edit Chemical
Chemical Chlorpyrifos
Chemical Properties and Fate Data:
CAS Registry No [2921-88,2
Molecular Weight |
Dissociation Constant j
Solubility |
Henry's Law Constant I
Vapor Pressure I
Chemical is a Base f"
Toxicily Data
350.62
References:
tt pKa
1.18 ppm
ARS Pesticide Properties Database
4.21EJ5 atm.m3*iral Pesticide Environ. Fate One Line Summar
1.9E-5 mm^
McCall, 1983
Octanol-Water
Partition Coefficient
5 (log;
JARS Pesticide Properties Database
Days to Reach Equilibrium: 45.03
(CalculatedUsing Octanot-Watef Partition Coefficient)
Calculate Sed/Oetntus Water Partition Coefficient
dynamically using pH, pkA and LogKQW 17
OR, Enter override
value for KPSED
at pH J, KPSED would be:
9138.288 |/kg
'H:«Ufi |/Kg
Activation Energy for
Temperature
Rate of Anaerobic
Microbial Degradation
Rats of Aerobic
Microbial Degradation
Uncatalyzed
hydrolysis constant
Acid catalyzed
hydrolysis constant
Base catalyzed
18000 cal/rnol
default
0 l/d
0.0145 l/d
Database max.; terrestrial so 1/4
0.009 |/d JARS Pesticide Properties Database
0 I /mol • d I
413? l/mnl-rt Inaln. frnm Pirahna
Clicking on the Toxicity Data button on the upper right portion of the screen takes the
user to a large screen, requiring sideways scrolling, that provides entry and comment fields for
animal and plant acute and chronic toxic effects. Minimal LC50 data are required; with a value
for Daphnia one can click on Perform invertebrate regressions to obtain estimated LCSOs for
several groups. Likewise, with a value for minnows, bluegills, or rainbow trout one can click on
Perform fish regressions to estimate LCSOs for several fish species. Depuration or elimination
rates are difficult to obtain, so usually one would want to click on Estimate elimination rate
constants using octanol water coefficient. Chronic toxicity values may be available for only a
subset of organisms; to extend those to other groups click on Estimate plant LCSOs using EC50
to LC50 ratio, and Estimate animal ECSOs using LC50 to EC50 ratio Drift pertains only to
zoobenthos; in the absence of good data, a fraction of the EC50 for growth or some other
toxicological benchmark can be used. The lipid fraction flows from the organism parameter
screen, but the mean weight (used in computing the elimination rate) is independent of the mean
weight given in the parameter screen because it also can be parameterized in library mode when
the animal screen cannot be accessed. The comment columns are skipped when the animal
toxicity screen is printed in order to keep the font a legible size; the plant comment columns are
printed because there are fewer columns.
18
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
MtiSi
J] | Animal name
~ Trout
Bluegiil
Bass
Catfish
Minnow
Daphnia
Chironomid
Stonefly
OJracod
* Amphipod
» j Other
ill 1
fj| Plan! name
ta||^ Greens
Jt Diatoms
H Bluegreens
•fl Macrophytes
i
jLij — i
t/'i_.
:;;•'"
?'"""
'^l^^g'-'l Add an Animal Toxicity Record j^l| g Print |- *,^^|
JLC50 | LC50 imp time Ihfl 1X50 comment
8.701 96 Regression on Bluegiil
24 96 EPA Duluth '88, p 124
9.849 96 Regression on Bluegiil
367.174 96 Regression on Bluegiil
203 96 Holcombeetal, 1382
0.17 24 EPA '87, p. 42 (Duluth)
1.416 24 Regression on Daphnia
10 96 Mayer ^Ellersieck, 1982
2.055 24 Regression on Daphnia
0.29 48 EPA '87, p. 42 (Duluth)
0 96
^fsjfSfr t| Add a Plant ToxicKy Record |/l g Print Jf """"
|EC50 photo JEC50e«p. time [h)j EC50 comment
0 96
0 96
0 96
0 96
f Estimate elimination rate constants using octanoi water coefficient 1:1
*'!
_| Estimate plant LCSOs using EC50 to LC50 ratio ||
"""""NXJ Estimate animal ECSOs using LC50 to EC50 ratio g
- i&^&^^w^. . "*"* •".„ . ,
-"ISi^aSEr - -AMb&fltt:»dMK.i.. j. -V -f f" T '
| Elim rate const [1 /d)\ Biotrmfm tale (1 /d)| EC50 growth) Growth exo (h)| EC50 repro ] ( » • |
1.9E-03
7.6E-03
3.3E-03
3.7E-03
1.85E-02
9.15E-02
5.32E-02
403E-02
6.93E-02
6.93E-02
OE*00
V *\I
0 0.71 96 0.355
0 0.17 96 0.085
0 1.2439 96 0.622
0 28 96 14
0 20.3 96 10.15
0 0.09 24 0.045
0 0.5798 24 0.2899
0 1 96 0.5
0 05776 24 0.2888
0 0.011 48 0.0055
0 0 96 0 I-
N
1
1
1
1
-i-l li
|Elim. rate const (Vd)|Biottnsfrn raten/d)|LC50 |LC50e»p. time (hj] LC50 comr^ |
2.4
2.4
2.4
0.3247
Perform fish regressions
Perform invertebrate regressions
Help J;""" ' j£/
00 96 10 times EC 1
00 36 10 times EC
00 96 1 0 times EC— 'jj|
0 0 36 10 times EC f|
^1
"t'x"-
|;,, x-
~M^k'
Chlorpyntcs Animal To^city Para^Beters
Trcyt
Qluogil
Bass
Cffltfisn
Mmfiaw
Oaptnla
Ghsfcfianrd
StesiaRy
ClElracod
Ainphip^d
Other
8701
24
9.1W9
M7.17J
203
0 1?
1.418
10
2.C65
029
0
•Ht
at
98
•Ht
•Jt
24
J4
96
24
4ft
9t
3 4BSE
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Edit State Variable Data
*•
tl
r i
<* i
r i
Oxygen _jS_|li
ii
ritial Condition: ||
7 mg/L |i
ii
gnore All Loadings i;
ii
se Constant Loading of i!
7 mg/L |!
Ise Dynamic Loadings i;
j:
ID ate Loading | | i!
1 ,,,, '""""I H
LJ" vr Ss:::::::d mg/L ii
j:
ii
ii
ii
ii
ii
ii
ii
ii
ii
ii
ii
:. f ~ . .. i ""Port I ||
Hell) 1 I'
Multiply loading by I1 1;
i Notes* Y 's usually a good default value ii
1 i j
Q.K. I' X Cancel
More complex input screens are used for nutrients. Loadings can be in concentrations
(mg/L) in inflow water, in g/d from point sources (PS) and from non-point sources (NFS), and in
g/m2 d from direct precipitation (DP), including dry fall. A button at the bottom of the loading
screen toggles between NFS and PS/DP. An additional button on the Phosphate loading screen
enables the user to adjust the fraction available for each loading source; the default is 1.
Nutrient Conversions
Following limnological convention, nutrients are expressed in
elemental form (such as phosphate as phosphorus and ammonia as
nitrogen). Phosphate is treated as available or orthophosphate; if part
of the phosphate loading is not available, the fraction available should
be adjusted. Nitrate and nitrite are combined because nitrite levels are
usually negligible. Organic nutrient loadings are considered part of the
detrital loadings, with the simplifying assumption of constant
stoichiometry, and are not considered separately.
If you have nutrient data in molecular form, use the following
conversions:
Phosphorus = phosphate -0.33
Nitrogen = ammonia -0.78
Nitrogen = nitrate -0.23
20
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Edit State Variable-Data
It
C 1
ff L
r i
Phosphate as P
titiai Condition;
0-05 mg/L
gnore All Loadings
se Constant Loading of
0.01 mg/L FiacJ
Ise Dynamic Loadings
Date {Loading |
JJ IB? ;:.«• a. J
1 j i- 1 j Import j
Multiply loading by I1
i
Notes: |
, ! !
on Available ii !
ii: ",
ma/L f J
Help I I \
' l ii: '
Ii
Ii
_y
ff i
r i
i
Lo
•ff L
r L
Loadings from Point Sources j i
Jse Const. Loading of jo g/tj : •: ;
Jse Dynamic-Loadings ;
(Date Loading I i i
i , i iiiiSiiiiiiiiiE
1 1
| i Ipiii
1 Import iiiji •
lulliply loading by J1 i =
adings from Direct Precipitation it E
se Const Loading of JO g*«2 - d 1 1 =
se Dynamic Loadings i ': :
I Date Loading | ;
I
I
r-- J Import | : E
Multiply loading by p I J
1 N.P.S. p ^ O.K. | X Cancel )
Detritus
A complex loading screen is necessary for suspended and dissolved detritus.
AQUATOX simulates Organic Matter (dry weight); however, the user can input data as
Organic Carbon or Biochemical Oxygen Demand (BOD), and the model will make the
necessary conversions. Suspended and dissolved detritus initial conditions and loadings are
divided into four compartments: particulate refractory and labile detritus and dissolved refractory
and labile organic matter. Initial conditions and loadings are parsed by specifying %
Particulate and % Refractory. Loadings can be constant or dynamic (time series) for
concentrations in inflowing water (mg/L), and for mass from point sources and non-point sources
(g/d). Toxicants associated with detritus also can be specified (• g/kg).
Separate screens are provided for refractory and labile organic sediments. The initial
conditions are given as g/m2, and the loadings are given as mg/L. Associated toxicants are given
as • g/kg (ppm).
21
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
AQUATOX- Edit State Variable Data
Susp. and dissolved detritus
Initial Condition:
C*1 Input is Organic Matter
f" Input is Organic Carbon
f~ Input is Biochemical Oxygen Demand
Initial Condition % Particular % Refractory
fi mg/L P [EH
Inflow Loadings:
iv Use Const. Cone, of
^^
f* Use Dynamic Cone, of
All Loadings:
% Particulatf % Refractory
is [54
Multiply
Inflow
Loading By:
Date Loading
Help
ImportJ
Notes:
Loadings from Point Sources
r Use Const. Loading of I)
<'• Use Dynamic Loadings
Date
Loading
g'd
Associated
with
Organic
Matter
g'd
•*. I Import J
Multiply loading by n
ViewTox. Loadings
N.P.S.
\
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Plants
The plant initial condition and loading screens are sensitive to the types of plants.
Phytoplankton units are mg/L, and periphyton and macrophytes are given as g/m2. Toxicants
associated with biota are given as • g/kg (ppm). Related parameter files can be accessed by
clicking on Edit Underlying Data. Some parameters are not used; those will appear grayed out
on the screen.
K'" f : f -j w^;^-^ MI-
• •*• - '*"• • • ••-' *» . s;
A
Plant Stigeoclonium, peri. Help | "~
Plant Type: | Periphyton jj Toxicity Record; (Greens jj
Taxonomic Group: JGre
Saturating Light
P Half-saturation
N Half-saturation
Inorg. C Ha If- saturation
Temp, Response Slope
Optimum Temperature
Maximum Temperature
Min Adaptation Temp.
Max. Photo synthetic Rate
Respiration Coefficient
Mortality Coefficient
Exponential Mort Coeff,
P : Photosynthate
N : Photosynthate
sns ^J
Plant Data:
References:
1 139 Ly/d Asaeda & Son 20DO,Hill 1996, 139; G & F
0.0093 mg/L Borchardt, 1996 (0.0093)
0.05 mg/L Collins 8 Wlosinski 1983, p. 37
0.054 mg/L " , p. 39 = 0.054
2 default
33 °G fDeNicola, 1966 (30-35)
42 »c C&WB3
15 "c C&WB3
2 1/d calibrated (Borchardt 1996, p. 211 = 2.0)
0.03 1 / d C S W83
0.001 frac/d prof, judgment
0.05 max/ d prof, judgment, 5%/d if photosyn = 0
0.018 ratio Redfield et al., "63
0.079 ratio
n 11 * /»- -IJ
23
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Edit Plant
L_oad from Library Siave to Library j H Q
Respiration Coefficient
Mortality Coefficient
Exponential Mort. Coeff.
P : Pholosynthate
N : Photosynthate
Light Extinction
0.03 1 / d 1C&W83
0.001 g/g-d prof, judgment
0.05 g/g-d |prof. judgment, 5Vd if photosyn = 0
0.018 ratio JRedfieldet al.,B3
0.079 ratio
0.15
Phytoplankton Only:
0 m / d
Periphyton and Macrophytes Only:
Reduction in Still Water
Critical Force (FCrit for
periphyton only)
Percent in Riffle
Percent in Pool
Percent in Run
0.6 fraction see VLimit.xls
0.001 newtons [reference value from expr. stream
If in Stream:
50 %
0
50.00
(All Biomass not in Riffle or Pool)
Animals
The animal initial condition and loadings screens are sensitive to animal type.
Zooplankton are given in units of mg/L; zoobenthos and fish are given in units of g/m2. As
always, toxicants associated with biota are given as • g/kg (ppm); loadings of associated
toxicants can be thought of as body-burden sources due to immigration.
By clicking on Trophic Interactions one can access a separate screen with feeding
preferences and egestion coefficients. The entire trophic interaction record can be displayed or
just the organisms simulated in the present study. The program normalizes preferences during
execution so that they sum to 1.0, facilitating the addition or deletion of state variables without
the user having to recalculate the preference values. The matrix can be imported or exported,
providing considerable flexibility in defining organisms. However, the format is internal to
AQUATOX, so the matrices should be prepared in the context of the parameter screen for an
organism in either a study or library. The actual values used at the beginning of a simulation can
be determined by clicking on Study, then Export Trophic Interactions; it will create a text file
with the matrix.
24
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Edit State Variable Data
LgForageFishl: [Shiner] H
Initial Condition:
|018 g/sq.m
Loadings from Inflow:
'• Use Constant Loading of
JO g/sq.m Trophic Interactions
("" Use Dynamic Loadings
g/sq.m
Multiply loading by
Notes:
Exposure to: jChlornyrifos
(of LgForageFishl)
Initial Condition:
|0 ug/kg
Loadings:
''•' Use Constant Loading of
[5 ug/kg
r Use Dynamic Loadings
ug/Kg
Multiply loading by ]1
j^j Load Data £EJt Underlying Data^SIlt^ S-K. | X Cancel
P'^%1
p-j Preference (ratio)
IJRdetrsed 0
• Ldetrsed 0
detr part 0
detr part 0.1
• Diatoms 0.05
• Diatoms! 0
jljStigeoclonium, 0.05
• ]Greens2 0
IHI Blue-greens 0.05
0
JjOtherAlgl 0
• OtherAlg2 0
• Myriophyllum 0
|HMacrophyte2 0
||| Shredder) 0
• Shredder2 0.1
Hchironomid 0.1
jSedFeederZ 0
JjJlDaphnia 0.3
Bsusr)Feeder2 0
I Clam! 0
|llciam2 0
ll^firaTRrl 0 :?, .,.,.,.,.,.,.,.,.,.,.,.,.,.,.
Trophic Interactions of Shiner:
Egestion (frac.) References:
0
0.6
1
0.5
0.3 Fishliase Cyprinella callistia
0
0.3
0
0.3 Fishbase Cyprinella callistia
0
0
0
0
0
0.158
0.158 prof judgment]
0.158 Leidy & Jenkins 77, Kitchell et al., 1977
0 §
0.158 Hill £ Napolitano, 1997, p. 451, Kitchell
0
0
0
I1.15R FCR
H (f View all data f~ View Organisms in Current Study Only "Sw^^iw**"''' -^
|:J Save Matrix to a File |S|| Load Matrix from a
sa
•58
Pi
I
|
1*1
|"g
1
laS
I
u
pi
1*1
l"g
1
a W"» |
OK 1
25
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
IlAQUATQX-- Main Window
B
File View Library i study Window Help
Initial Condition
Chemical
Site
Setup
Notes
Run
Control
Study Name: output
Add State Variable
tudy Information
iion 2.00
Edit With Wizard
Help
State and Driving Variables In Study
Pjsspjyed qrtj. tpx 1: JEsfenyaJeratel [^
Ammonia as N
Nitrate as N
Phosphate as P
Carbon dioxide
Oxygen
Refrac, sed. detritus
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac, detritus
Buried labile detritus
Diatoms'!: [Diatoms]
Greens'!: [Stigeoclonium, peri.]
Bl ijreenl: [Blue greens]
Macrophytel: [Myriophyllum]
SedFeedeM: [Chironomid]
SuspFeedeM: [Daphnia]
SnaiH: [Gastropod]
Predlnvtl: [Predatory Zoopiank.]
Clicking on Edit Underlying Data can access related parameter files. Release 2 can
model two size classes for each fish species and up to fifteen age classes for one species.
Records for different size classes are linked by clicking on Species Data and choosing the
correct record from the list given. In the example, "Green Sunfish, Adult" is linked with "Green
Sunfish, YOY." Two different species can be modeled instead of two size classes, in which case
"No other state variable" should be chosen in the Species Data window.
26
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Load from Library ||||||| Save to Library I1"""" QK. i Print
i
Animal Green Sunfish, Adult Spec
Animal Type:
Taxonomic Type or Guild:
Fish j*j
Forage Fish jj
HesData | Help |
Toxicity Record [Bluegill _-)
Trophic Interactions |
Animal Data:
References: l'-^ ^^ ;1 ' ^
Half Saturation Feeding
Min Prey for Feeding
Temp. Response Siope
Optimum Temperature
Maximum Temperature
Min Adaptation Temp,
Specific Dynamic Action
Excretion : Respiration
Gametes . Biomass
Gamete Mortality
Mortality Coefficient
Carrying Capacity
0.05 mg/L
1 .".,,..,
0.012 (jjsti.ni
2.3
22 °C
33.8 *C
2.5 «C
U...2H ...
0.15 (unitless)
0.05 ratio
0 ratio
0 i/d
0.0001 I/d
0.36 g/sq.m
jprof judgment i f"-,J(.' ^" V;L»V!! ' =K vifti™ttg" '"•"' -l.1'^^-...^ - — 3
lfiii>,.i/!>n ;t .hihs^iin "''^ i ,-sh lif.ti^l , ' ^^^^
Jprof. judgement ^ No other state variable **
LeidyS Jenkins 77 | j
' i Help OK Cancel [
1 " L *'
j-Mlt. i. 1 '• -H- ' -i ', .'• 1MN. '-I. JH >",
Mlewett S Johnson 32
LeCren & Lowe-McConnell BO, n. 316 (Y
JLeCren « Lowe McConnell BO, p. 317(YC
|C«WB3
|calc. from Leidy & Jenkins 77
d
Mi... JSJA... H]Us...j
Scrolling down through the window, we find several parameters that are new to Version
2. VelMox is the maximum velocity that the organism can experience without being swept
downstream. Preferences for stream habitats can be specified; the default is 100% for the run; if
the site is not a stream, the habitat preferences are ignored. Fish spawning dates can be specified
as an alternative to being cued by temperature preferences.
27
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX" Edit Animal
.1* —>
Save to Library OK Print
Carrying Capacity 0.36 gteq.m calc. from Leidy & Jenkins 77
VelMax 400 cm/s Default
Bioaccumulation Data:
Mean lifespan I 730 days
Initial fraction that is lipid j 0.045 (wetwt.) Niimi B3 (4.5 - 10.5%)
Mean weight j 100
prof, judgment
If in Stream:
Percent in Riffle
Percent in Pool | 50 % j
Percent in Run 30.00 % (All Biomass not in Riffle or Pool)
Spawning Parameters:
Either P Fish spawn automatically, based on temperature range
Eithwr jy Fish can spawn ati unlimited number ot times each year
Allometric Parameters
The allometric parameters permit computation of maximum consumption rates
(CMax) and respiration rates based on size using parameter values available from
documentation of the Wisconsin Fish Bioenergetics Model (Hewett and Johnson, 1992); we
do not recommend using these without reference to that document. To facilitate use of this
source of parameters, the parameter names are the same. CA is the intercept of the allometric
consumption function, and CB is the weight exponent:
CB
CMax = CA -Wt
The maximum respiration rate (RMax) is computed from the intercept of the
allometric respiration function (RA), the weight exponent (RB), and an activity factor
(Activity):
RMax = RA-Wt -Activity
Computation of the activity factor can be a complex function of swimming speed with
several parameters (Set 1). Briefly, these are the Q10 (the increase per 10*»C, RQ), the
optimum temperature (RO), the maximum temperature (RM), the temperature above which
swimming speed changes (RTL\ the intercept for swimming speed above RTL (RKJ\ the
weight exponent for swimming (RK4\ the intercept for swimming speed below RTL (ACT),
and the temperature dependence of swimming speed below RTL (BACT). Otherwise, the Set
2 activity parameter (ACT) is used as a multiplier.
28
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
flnuflTOX Edit Animal
I Load from Library [ Save to Library |lllll OK 1 ' Print
Allometric Parameters:
Consumption:
%s Use Allometric Equation to Calculate Maximum Consumption:
CA: ] 0.182 intercept for weight dependence
CB: j J1274 slope for weight dependence
Respiration:
Iv* Use Allometric Equations to Calculate Respiration:
RA: I 0.0154 intercept for species specific metabolism
RB: [ -0.2 weight dependence coefficient
P Use "Set 1" of Respiration Equations
"Set 1" Parameters:
"Set 2" Parameter:
ACT: 1 intercept of swimming speed vs. temperature and weight.
As mentioned previously, Release 2 also can model one species as having multiple age
classes. Tabs indicate the different input screens, including General (fish name and age at which
sexually mature), Initial Conditions, Inflow Loadings (from upstream), Toxicant 1C. (initial
conditions), Toxicant Loadings, Lipid Fractions, Mortality coefficients, and Mean Weights. For
each, the user can enter values for each age class or can choose one of several distributions,
characterized by user-supplied statistics. The values can be graphed as well. Parameter screens
and trophic interaction screens can be accessed for young-of-the-year (YOY) and older fish.
Entering values for each category can be tedious. Initial biomass in each age class can be
entered using a normal distribution. The "Y Scale" value is the total biomass, and the mean is
the most important age class in terms of biomass. This is best seen by selecting View Graph;
values can be seen by selecting View/Edit Values—but, contrary to the label, you cannot edit
them in that mode. By selecting Use User Defined Values, you can make any changes you wish
to individual age class values. Distributions are not as useful for other categories; one might use
a uniform distribution to populate the age classes with a constant value for lipid fraction or a log
normal distribution to obtain an initial distribution of values for mortality. You could then
modify individual values. Caution: if you switch to Use Distribution from Use User Defined
Values, the manually entered values will be lost! Mean weights are very important because they
determine the maximum consumption and respiration rates, using the allometric equations.
There is no way to use a distribution to get meaningful mean weights.
29
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
imani'JTgriiaKi:imafliniraT.ra
j General initial Condition j Inflow Loadings | Toxicant I.C. | Toxicant Loadings j Lip id Frac. | Mortality] Mean Weight pi
•' View Graph!
View/Edit Values
Notes: |sl)m °t all piscivorous fish in Sb (bass, pike)
Edit YOY Underlying Data
j'| Edit Underlying Data for Fish Over One Year in Age
| YOY Trophic Interactions |j Older Trophic interactions
• Use Distribution
C Use User Defined Vatui
Distribution Type:
r Triangular
r Uniform
<• Normal
c Loijnormal
Distribution Parameters:
Std. Deviation |2
Y Scale [o.57
Help
f IV OK | j X Cancel
I General Initial Condition | Inflow Loadings j Toxicant I.C.J Toxjcant Lpadinjsj Lijid Frac. ] Mortality | Me^n WeightJf
nitial Condition (g/m2)
Fish Age:
< 1
tto2
2 to 3
3 to 4
5 to 6
6 to 7
7 to 8
8 to 9
9 to 18
10 to 11
11 to 12
12 to 13
13 to 14
Value:_±
1.0006
0.0028
0.0094
0.0251
0.0524
0.0854
0.1091
0.1091
0.0854
0.0524
0.0251
0.0094
0.0028 j
" View Graph - • Vieiw i Fdlt Values
Notes: jsum of all piscivorous fish in 5b (bass, pike)
1
" Tj
': Use Distribution ;
(~ Use User Defined Values
Distribution Type:
r Triangular |
r Uniform j
'• Normal :
r Lounormal
Distribution Parameters:
Mean fa i
Std. Deviation [2 |
V Scale fas? i
!i
Edit YOY Underlying Data
Edit Underlying Data for Fish Over One Year in Age
^ YOY Trophic Interactions y Older Trophic Interactions |,,,,
30
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
General j Initial Condition | Inflow Loadings ] Toxicant I.C. j Toxicant Loadings Ltpid Frac. J Mortality j Mean Weight {
Lipid (fractloi
f et wt.)
Fish Age:
0.040
0.0400
0.0400
0.0400
0.0400
0.04GO
0.0400
0.0400
0.0400
0.0400
0.0400
0.0400
0.0400
0.0400
~ View Graph (• View'Edit Values
Edit YOY Underlying Data
'• Edit Underlying Data for Fish Over One Year in Age
L
YOY Trophic Interactioi
Older Trophic Interactioi
1 f<2:!fe%^
f General JltiitlaijConditionJjnflow Loadings] Toxicant I.CJJoxicant Loadings | Li^id Frac. Mortality | Mean Weight |
(~. Use Distribution
r Use User Defined Value!
Distribution Type:
'- Triangular
/~ Uniform
T Normal
{• Lognormal
Distribution Parameters:
Mean j~1
Std. Deviation j"l
V Scale [0^4
Age Group (Upper Bound)
10 11 12 13 14 15
*" View/Eda Values
Edit YOY Underlying Data
Edrt Underlying Data far Fish Over One Year in Age
YOY Trophic Interactions f Older Trophic interadio
Heip [] V OK [1 X Cance
-------
AOUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
, mmmjss,
] Genera^ lniti£ljConditipnJ Inflow Lciadmgsj JoxicantJ.Cj Toxicant Loadings] LijJid Frac.j Mortality Mean Weight
^^.mm^^WMmiW^l^^W^mMm^mW^MM^iWlfmfim& ;:~:;:~^;~~^.:~^:-~::;::^:^J~
Mean Wet Weight (g)
Fish Age:
< 1
rioi
2 to 3
3 to 4
4 to 5
5to6
6 to 7
7 toB
8 to 9
9 to 10
10 to 11
11 to 12
12 to 13
13 to 14
Valued
24.000!
94.000!
219.001
355.001
518.001
600.001
850.001
900.001
1111.01
1150.01
1175.01
1200.01
1200.01 ,,
View Graph
; View/Edit Values
Edit YOY Underlying Data
Edit Underlying Data for Fish Over One Year in Age
YOY Trophic Interactions g Older Trophic Interactions ^181111^^ Help
32
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Temperature
The annual mean and range in temperature from the site file can be used, or time-series
can be entered—in which case make sure that the time period being simulated is covered. If the
system stratifies then temperatures must be given for both epilimnion and hypolimnion.
QUATQX- Edit State Variable Data
^r::- '^~~^^^::------------- -- ,..,...».»..»....».. «„
ft
r i
r i
(!• I
Epilimnion Temperature
litial Condition:
. '"""''•-'
= _*j;
16 deg. C
Ise Annual Means for Both Strata
se Constant Value of
0 deg. C
Ise Dynamic Valuation
Date {Loading | _±.
7/16/1986 16.5
7/21/1986 24
7/26/1986 24
7/31/1986 23
8/5/1986 21
8/10/1986 21
8/15/1986 19.5
^ 8/20/1986 21 ~
+ | - j A | Import"
Multiply loadfng by P
deg. C
- Help |
Notes: j
1
C
,1
i
j^ww»^»ii»SS«5»Aw»»wi»«l»
Hi
Could
I
t
(?
I
rpolimnion Temperature:
this system stratify ?
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Light
Annual mean and range values for light are input in the site screen and may be used to
estimate daily incident solar radiation at the surface of the water in Langleys/day (Ly/d).
Dynamic loadings are especially useful for areas where light intensity is not a simple sinusoidal
relationship, such as areas with seasonal coastal fog and streams where there is seasonal riparian
shading. Ordinarily the photoperiod is computed from the latitude; but occasionally, such as
with indoor experimental streams, it may be desirable to set a constant photoperiod.
AQUATOX- Edit State Variable Data
Light
Initial Condition:
p___ Ly/d
i* Compute Photoperiod
from Latitude
r Use Ko ttr/a
Use Annual Mean and Range Loadings
Use Constant Loading of
Jo : " Ly/d
Use Dynamic Loadings
Date
||±3
Ly/d
* »_~—
Import
Multiply loading by 1
Help
Notes: f
Q.K.
Light Conversions
Approximate conversions are:
1 Ly/d = 10 Kcal/m2 = 5.2 Einsteins = 2764.46 Joules/m2 d.
Water Volume
Considerable flexibility exists to compute or specify water volume. Depending on the
method chosen, inflow or discharge values may be required. The Manning's equation can be
34
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
used to compute changing volumes in a stream. The simplest procedure is hold volume constant
at the initial condition. Volume can be computed dynamically using both inflow and discharge,
which are input on this screen; however, it also uses the annual evaporation rate, which is input
on the site screen. When available, a known time series can be entered or imported. Flow data
can be imported in several formats, including USGS tab-delimited; however, recent changes in
the USGS format, including variable header material, makes this prone to problems. If the data
do not appear in the preview window then the flow data will have to be converted in a
spreadsheet from cfs to m3/d, and the date column and flow column then exported as a tab-
delimited or comma-separated file suitable for importing into AQUATOX.
AQUATOX- Edit State Variable Data
Water Volume
Initial Condition:
|3.000QE+1 cu.tn
f° Use Maernmi's Equation (siie*irnt> or%>
C Keep Constant at Initial Condition Leuel
<~" Vary given Inflow and Outflow
<:• Utilize Known Values (below)
Date j Loading | ±j
6/20/1988
7/18/1988
8/18/1988
9/18/1988
» 10/18/1988
27.85
24.54
17.36
17.36
17.36
- | A | Import
Multiply loading by
Help
Notes: | volume is variable; nominally 30 cu m
(because this is a pond enclosure it fluctuatt
Inflow of Water
ff Use Const. Loading of JO.OOOOE+O cu.m/d
f Use Dynamic Loadings
Date [Loading
cu.in/d
Import
Multiply loading by (i
-Mffitili
(Date (Loading B
"lj!t.''t"J."Ji-.l]'.-.l']."]."]."]."]."]."]."a*>""-"-" niiiiiiim«iiii» J. 1
get Initial Condition from Site Data j I*/ fl.K. \ X jEgrtceljji
PH
AQUATOX does not compute pH as a state variable at present. Therefore, it is important
to enter a reasonable constant value or provide an observed time series. This variable is
especially important in computing hydrolysis of toxic chemicals. Extreme values (below 5 and
above 9) can affect microbial degradation.
Setup
By clicking on Setup in the Main screen, the user can set some simulation variables and
several important procedures. At the top of the setup screen, you can modify the first and last
35
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
days of the simulation. Use a 4-digit year designation to avoid any confusion between the years
1900 and 2000; the model will interpret "700" as "72000." The Data Storage Step defines how
often the results are saved; it is usually one day, but can be varied to save space or show high
frequency results. AQUATOX interpolates variable-step output to obtain the desired interval.
The Relative Error is the acceptable error in the simulation; if it is not achieved in a particular
time step, the variable Runge-Kutta routine decreases the step size and tries again. If the relative
error is too large, the results may be erroneous; if it is too small, the run time may be too long.
Usually a value between 0.005 and 0.0005 is appropriate, but you may wish to experiment for a
particular application.
Study Setup
First Day Of Simulation 6/16/1986
Data Storage Step 1.00
Relative Error 0.0050
Last Day | 9/19/1986
dayts)
Min. Stepsize 1E-10
f"" Keep Freely Dissolved Contaminant Constant
r~ Disable Dynamic Lipid Calculations
| Include Complexed Toxicant in BAF Calculations
F Write Hypolimnion Data When System not Stratified
C Equilibrium Fugacity (• Kinetic Partitioning
C' Show Integration Info (• Don't Show Integration
(*" Save Biologic Rates C* Don't Save Rates
Rate Specifications
Uncertainty Setup
Output Setup
What follows are three choices for computing bioaccumulation factors (BAFs) and a
choice for saving output. If you are computing steady-state BAFs, you may wish to hold the
freely dissolved contaminant constant. AQUATOX calculates time-varying lipid fractions in
fish, but those calculations can be disabled and default or user-supplied initial values can be
used. The older literature often did not distinguish between freely dissolved contaminants and
those complexed with dissolved organic matter. You may choose to include the complexed
contaminant in computing BAFs so that the results are directly comparable with the older
literature values. In plotting output for stratified systems, it is usually more pleasing to plot
continuous values for the hypolimnion, even when the system is not stratified. This is done by
duplicating epilimnion values for the hypolimnion when the system is well mixed; however, that
takes additional storage, so you may choose not to duplicate those data points.
36
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Equilibrium Fugacity is grayed out because the model only represents kinetic partitioning
now. If you click on Show Integration Info., you will be able to see what time steps are used in
solving the differential equations and what rates and associated relative errors are causing the
integration to slow down while the model is running. The progress screen also will show when
periphyton sloughing is occurring in a stream simulation.
You may save biologic (and chemical) rates for examination with a spreadsheet program.
Choose Save Biologic Rates and click on Rate Specifications to designate those state variables
for which you want the additional output. Don't save rates for all state variables or the output
will be voluminous! Usually you would save rates for each output step, by choosing "When
Writing Results." However, you can save rates for each step in the solution of the differential
equations, that is, "Each Attempted Step". You also can choose to save just the errors associated
with each state variable. These latter choices are useful only if you are concerned with the
details of the numerical analysis. Unless you have Paradox or Quattro, choose to save as an
Excel File (*.xls)
Specify Rate
File Type to Write Rate Data to:
r Paradox File (*.db) •'• Excel File f.xls)
fe
Available State Variables:
NH4 A
NO3 —
P04
C02
Oxygen
R detr sed
L detr sed
R detr diss
L detr diss
R detr part —
L detr part
BucyRDetr
BuryLDetr
Water Vol
Temp
Wind
Light
nH _
jj
d
Track Rates for these Vars:
T1H2O
Diatoms 1
Diatoms2
Greens 1
Bl green 1
Macrophytel
SedFeederl
SuspFeederl
SmFora(jeFish2
LgForageFishl
LgForageFish2
T1SedFeeder1
TISuspFeedeM
T1SmForageFish2
T1L[jForageFish1
T1LgForageFish2
Write Rates:
'V When Writing
Results
r Each Attempted
Step
iv Write All Rates
Associated with
Each State Var.
C Write Errors Only
Help J
V OK | X Cancel \
Uncertainty, Control and Output setups are complex and are covered below.
Control Setup
A powerful feature of AQUATOX is that it can run paired simulations for perturbed and
control conditions. The default is for the control simulation to have all organic toxicants zeroed
out or omitted. However, there is considerable flexibility in setting up the control run. For
example, toxicants can be kept and point-source nutrients can be omitted in the control run. In
fact, it is possible with a few judicial choices to set up a factorial analysis to determine the
effects of various combinations of pollution control scenarios. Click on Control Setup to check
37
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
which options should be used in the Control simulation. Most are self-explanatory; however, Set
Multiply-Loadings Factors to 1 deserves some explanation. Each loading screen has a field
labeled "Multiply loading by" with a default value of 1. A loading can be perturbed easily by
changing the factor to a fraction less than 1 (decreasing the loading) or to a value greater than 1
(increasing the loading). These perturbations can be negated in the control screen by setting
them to 1. Also, note that "Direct Precipitation" includes both wet and dry fall.
Two examples are given: the first zeroes out all organic toxicants in the control. In the
second, there are no organic toxicants (indicated by the grayed out box), and the only change in
the control simulation is that the point sources for nutrients and detritus are omitted.
Control Run Options
All Organic Toxicants:
Zero-Out Initial Conditions F
Omit Inflow Loadings 17
Omit Point Source Loadings F
Omit Direct Precipitation Loadings F
Omit Non-Point Source Loadings |7
Omit Toxicant in Organisms F
Omit Buried Toxicants F
Set Multiply-Loadings Factors to 1.0 F
Nutrients: (Ammonia, Nitrate, and Phosphate)
Zero-Out Initial Conditions F
Omit Inflow Loadings I
Omit Point Source Loadings F
Omit Direct Precipitation Loadings I
Omit Non-Point Source Loadings F
Set Multiply-Loadings Factors to 1.0 F
Detritus:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiply-Loadings Factors to 1.0
r
r
r
r
Help [-Jy OK I': X Cancel
38
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Control Run Options
r
r
r
r
r
r
r
r
Nutrients: (Ammonia, Nitrate, and Phosphate)
Zero-Out Initial Conditions
Omit Inflow Loadings r
Omit Point Source Loadings V ,
Omit Direct Precipitation Loadings P k
Omit Non-Point Source Loadings l~
Set Multiply Loadings Factors to 1.0 F
Detritus:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings]
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiple-Loadings Factors to 1.0
1
r
|7
F
r
I
1
r
r
r
r
r
r
Help y OK , X Cancel
Uncertainty Setup
Another powerful feature of AQUATOX is that it can perform uncertainty or sensitivity
analysis to provide probabilistic results. Latin hypercube sampling is performed, ensuring that
all parts of the chosen distribution are sampled. Therefore, the number of iterations can be kept
to a minimum, which is important because each iteration is a complete simulation. Twenty
iterations is the default, meaning that the distribution is divided into 20 segments for purposes of
sampling, and that often may be more than sufficient to obtain an adequate sample.
Any and all parameters and loadings can be chosen, either singly or in combination
(although linked distributions or covariances are not modeled). By double-clicking on a variable
one can access the corresponding distribution information. The default is a normal distribution
with a mean of the point or parameter value and a standard deviation of 60% that value. Often
loadings are well represented by lognormal distributions. If less is known about the distribution,
but minimum and maximum values and some central tendency can be defined, then a triangular
distribution may be appropriate. If only minimum and maximum values are known, then a
uniform distribution may be sufficient, and the number of iterations can be decreased. A
separate section will discuss Uncertainty Analysis in more detail.
39
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
r Run Uncertainty Analysis
17 Utilize Non-Random Seed
Number of Iterations |20~
Seed for Pseudo
Random Generator
100
(integer)
(integer)
All Distributions
Distributions by Parameter
Distributions by State Variable
Dissolved org. tox 1: (Chlorpyrifos)
Chemical Parameters
T1: Molecular Weight
T1: Dissasociation Constant (pKa)
T1: Solubility (ppm)
T1: Henry's Law Const, (atm. mA3/mol)
T1: Vapor Pressure (mm Hg)
T1: Octanol-Water Partition Coetf (Log Kow
T1: Sed/Detr-Water Partition Coetf (mg/L)
T1: Activation Energy for Temp (cal/mol)
T1: Anaerobic Microbial Degrdn. (L/d)
T1: Aerobic Microbial Degrdn. (L/d)
T1: Uncatalyzeel Hydrolysis (L/d)
T1: Acid Catalyzed Hydrolysis (L/d)
T1: Base Catalyzed Hydrolysis (L/d)
T1: Photolysis Rate (L/d)
T1: Oxidation Rate Const (L/mol day)
T1: Weibull Shape Parameter
T1: Initial Condition (ug/L)
T1: Const Load (ug/L)
-f T1: Multiply Loading by: (Normal DistribuJ!
T1: Mult. Direct Precip. Load by
T1: Mult. Point Source Load by
T1: Mult. Non-Point Source Load by
S Toxicity Parameters
Ammonia as N
Distribution Information
'• Probability r Cumulative Distribution
Distribution Type:
<"* Triangular
r Uniform
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX: Results Tracking
Save PPB Data
Memory Utilization (no stratification)
Control Study 0.08 MB
Results Study 0.08 MB
Total 0.15 MB
I
Results to Track
NH4
N03
P04
CO 2
Oxygen
R detr sed
L detr sed
R detr diss
L detr diss
R detr part
L detr part
BuryRDetr
BuryLDetr
Diatoms
Stigeoclonium
Blue-greens
Chara
Chironomid
Daphnia
Results NOT to track:
_d
d
Help |
*/ OK
X Cancel
2.3 Displaying Output
Graphs
AQUATOX has extensive capabilities for graphical and tabular output. By clicking on
Output on the main screen one can access the Output Window. There are six tabs, each
representing a different form of output. Graphical output has a title that is input on the main
screen, and a time and date stamp to facilitate record keeping, especially if the graph is printed
out. Two different sets of variables can be plotted with separate scales on the Yl and Y2 axes.
Variables are chosen by clicking on Change Variables to access the Graph Setup screen. The
model will only allow variables with the same units to be plotted together. One or two Y axes
with separate scales can be specified. It is often useful to Copy Setup From Perturbed or to
Copy Setup From Control so that results can be compared easily. Either automatic scaling or
user-specified scaling can be used. By clicking on Graph Setup the user can access a screen
that controls the appearance of the graph.
41
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Output Window-- ChlorMed.aps
J
Perturbed Simulation | Control Simulation |.PertU[!*e!
22.0
20.0
18.0
16.0
14.0
-12.0(,
10.0
8.0
6.0
4.0
2.0
0.0
••• Shiner (g/sq.m)
-*- Green Sunfish, (g/sq.m)
-*- Chironomid (g/sq.m)
a Stigeoclonium, (g/sq.m)
o Green Sunfish2 (g/sq.m)
A Periphyton, Di (g/sq.m)
-v- Diatoms (mg/L)
-•- Blue-greens (mg/L)
o Daphnia (mg/L)
[? Show All Available Results
17 Show Basic Results F7 Show Tox Cone. Results
Show PPB Results [7 Show BAF Results £/ Show Age-Class Results
Selected Set of Results:
NH4 (mg/L) T^
N03 (mg/L) *
P04 (mg/L)
CO 2 (mg/L)
Oxygen (mg/L)
L de sed (g/sq.m)
Lde diss(mg/L) _
R de i part (mg/L)
L de part (mg/L)
BuijpRDetr (Kg/cu.m)
BurjiLDetr (Kg/cu.m)
Chard (g/sq.m j
Water Vol (cu.m)
Temp (deg. C)
Wind (m/s)
Light (L.v/d)
pH (pH)
T1R detr sed (ug/L)
T1R detr diss (ug/L)
T1R detr part (ug/L)
TIBuryRDetr (Kg/cu.m) ,
^
2d
^J
«l
^J
2il
^J
«l
-HJ
Results on Y1 Axis (g/sq.m):
Stigeoclonium,
Chironomid
Green Sunfish,
Shiner
Green Sunfish2
Results on Y2 Axis fmg/L):
Blue-greens
Daphnia
Y1 Axis Scale
. Use Automatic Scaling
<~ Use Below Values
Min |D
Max 10
I
Y2 Axis Scale
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Perturbed Simulation ] Control Simulation | Perturbed Graph Control Graph | Difference Graph | Uncer
Copy I Print Setup I Print Graph I Help
] s^ph '-''-tup ll Change Variables
CHLORPYRIFOS 6 ugJL (CONTROL) 12/8/2003 3:57:58 PM
(Epilimnion Segment)
6.0
5.0
'~ Shiner (g/sq.m)
-*- Green Sunfish, (g/sq.m)
-*- Chironomid (g/sq.m)
n Stigeoclonium, (g/sq.m)
<• Green Sunfish2 (g/sq.m)
A Periphyton, Di (g/sq.m)
-v- Diatoms (mg/L)
-•- Blue-greens (mg/L)
° Daphnia (mg/L)
o.o
0.0
Titlel |CHLORFYRIFOSSug/L(C Fonl
Chart is 3D
Iv" Show Vertical Gridlines
Show Y1 Axis Gridlines
P Show Y2 Axis Gridlines
Title2 | (Epilimnion Segment]
XAxis
Series Specific Data
SreenSunfish, (g/sq
Chironomid (g/sq.m)
itigeoclonium, (g/sq.
jfeen Sunfish2 (g/sc
:'eriphj)ton, Di(g/sq.i |
llahnm.. frs-.r,VI 1
Series Symbol: Circle
One of the most useful forms of output is the Difference Graph, which plots the results
of the perturbed simulation minus the control simulation as percent differences. The default
minimum and maximum percentages are 400% and -100% (complete loss). However, these can
be changed by accessing the Change Variables screen.
43
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
-: Output Window— ChlorMed.aps
Saue
Perturbed Simulation | Control Simulation | Perturbed Graph | Control Graph [Difference Graph [ Uncei
Graph Setup Change Variables (Epilimn ion, if stratified) Copy | Print Setup Print Graph | Help
CHLORPYRIFOS 6 ug/L (Difference) 12/8/2003 3:57:58 PM
(Epilimnion Segment)
• Diatoms
•j Stigeoclonium,
-*- Blue-greens
-T- Chara
a Chironomid
••> Daphnia
A Shiner
•*- Green Sunfish2
•*• Green Sunfish,
° Heriphyton, Di
6/22/1936 7/7/1986 7/22/1986 8/6/1986 8J21/1986 9J5/1986 9/20/1986
Another powerful form of graphical output is the Uncertainty Graph. If an uncertainty
analysis has been performed the results can be potted as a series of lines representing the mean,
minimum, maximum, mean - 1 standard deviation, mean + 1 standard deviation, and
deterministic results. Only one variable can be viewed at a time, so click on View a Different
Variable to view another. With a large number of variables, it may be necessary to split the
output into two files. If you do not see all the results that you wish to plot, such as
bioaccumulation factors (BAFs), click on View a Different Database and load another file with
the same name but with the suffix "2."
44
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
*,;_.': Output Window— ChlorMed.aps
| x|
Exit Output
Load Results from File
Save
Control Simulation | Perturbed Graph ] Control Graph | Difference Graph Uncertainty Graph
View a Different Database
Viewing Data in File: C:\AQUATOX\Habitat\0utput\Coraluille U dieldrin.db
View Diomass Risk Graph
Copy
Graph Setup
Print Setup
Print Graph
Help
View a Different Variable
Largemouth Ba2 (g/sq.
12M2003 4:16:40 PM
Mean
— Minimum
— Maximum
— Mean - StDev
Mean + StDev
Deterministic
5/14/1969
11/12/1969
5/13/1970
11/11/1970
5/12/1971
11/10/1971
5/10/1972
Of particular interest to risk assessors is the Risk Graph, which plots the probabilistic
results as percent probabilities of percent declines by the end of the simulation. Any number of
organisms can be plotted simultaneously on the Risk Graph, so that the responses of both tolerant
and intolerant organisms can be analyzed. If an organism increases, such as through release of
herbivory (for plants) or predation (for animals), then the " percent declines" are shown as
negative values.
45
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
^Output Window- ChlorMed.aps BIETHI
Control Simulation
View a Different C
Viewing Data in File:
Perturbe
sv File
d Graph
Exit Output
Control Graph
Copy
Difference G
Graph Setup
Load Results from File Saw
raph Uncert
Print Setup
ainty Graph 4 >
Print Graph Help
C:\AQUATOX\Habitat\Output\Coraluille U dieldrin_decline.CSV
; View a Different Variable i
100.0-
90.0
t Probability
"1 CO --4 C
3 0 0 C
3 b b c
g
a 40.0
30.0
20.0
10.0
View Mean,
Min., Max.
Biomass Risk Graph
12/0/2003 4:21:52 PM
-40
-20
o1
<".-
— —
0 20 40
Percent Decline at Simulation End
60
V
T
--i
* Bluegill
o Buffalofish
-*- Largemouth Ba2
80 100
By clicking on Copy a graph can be saved to the Windows clipboard as a bit map (bmp)
or Windows enhanced meta file (emf) for insertion in a document or graphical presentation. Bit
maps are raster files with every pixel being saved; meta files are usually vector files with
instructions being saved to replicate the image. A typical AQUATOX graph saved as a bit map
is 2,716 kb compared to 46 kb for an enhanced meta file, and the results are virtually identical!
The only reason for saving a graph as a bit map is that not all programs support enhanced meta
files.
Copy To Clipboard
* Copy to clipboard as a bitmap
Copy as a Windows Enhanced Meta File
OK
Cancel
46
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Because Release 2 can support multiple windows, output from another study can be
loaded (by clicking on Load Results from File). This can be useful for comparing results from
two or more simulations saved as separate studies.
Tables
Tables can be obtained for both perturbed and control runs. The user can specify what
variables are to be tabulated. The results can be saved to an Excel file.
S Output Window- ChlorMed.aps
| x]
Exit Output
Load Results from File
Save
Perturbed Simulation I
Control Simulation j Perturbed Graph j Control Graph \ Difference Graph ] Uncer Vl H
Change Variables
Perturbed Simulation: Results
2.4 Exporting Results
All results can be exported in Paradox, dBase, Excel, or comma-separated values
by clicking on Export Results (perturbed) or Export Control. Results also can be exported to
GenScn if it has been installed as part of the BASINS implementation (see Volume 3).
47
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Two Ways to Export Results
Results also can be exported from a table in Output. However, at this time,
exporting from the main screen as described here is the faster procedure. For a
long simulation with numerous state variables, the difference is appreciable!
AQUATOX- Select
•
I! x|
Available Results: Results to
NH4 (mg/L)
N03 (mg/L) *~
P04 (mg/L)
CO 2 (mg/L)
Oxygen (mg/L)
R detr sed (g/sq.m)
L detr sed (g/sq.m)
R detr diss (mg/L)
L detr diss (mg/L)
R detr part (mg/L)
L detr part (mg/L)
BuryRDetr (Kg/cu.m]
BuryLDetr (Kg/cu.m)
Water Vol (cu.m)
Temp [deg. C)
Wind (m/s)
Light (Ly/d)
pHJpHl
^•iTlR detr sed fua/Ll . •
•
T1L detr sed (ug/L) l^£
T1R detr diss (ug/L)
T1L detr diss (ug/L)
T1R detr part (ug/L)
T1L detr part (ug/L)
T 1 B ury R D etr (Kg/cu. m]
T1 BuryLDetr [Kg/cu.m)
T1 Diatoms (ug/L)
T1 Periphyton, Di (ug/L)
T1 Stigeoclonium, (ug/L)
T1 Blue-greens (ug/L)
T1 Chara (ug/L)
T1 Chironomid (ug/L)
T1 Daphnia (ug/L)
T1 Green Sunfish, (ug/L)
T1 Shiner (ug/L)
T1 Green Sunfish2 (ug/L)
Secchi d (m)
Chloroph (ug/L)
Inflow H20 (cu.m/d)
Run Velocity (cm/s)
Periphyton Chla (mg/sq.m]
Moss Chla (mg/sq.m] •*•
|
> I
|
J>>j
I
_<_j
I
«
_u
| ':f| Export All Results to GenScn |
Export: j
T1 H20 (ug/L)
Green SunfishZ (g/sq.m)
Shiner (g/sq.m)
Green Sunfish, (g/sq.m)
Daphnia (mg/L)
Chironomid [g/sq.m)
Chara (g/sq.m)
Blue-greens (mg/L)
Stigeoclonium, (g/sq.m)
Periphyton, Di (g/sq.m)
Diatoms (mg/L)
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Export Results As:
Save in: til Output
]l - 5treanri.xls
]l- Bains Br calibration.xls
]l- Bibb calibration.xls
]l- Caldwell calibration.xls
]l- calibration.xls
]l Cheney.xls
[ill
File name:
ChlorMed.xls
Save as type:
Outpi
Excel 97/2000 Format (K.xls)
Paradox Format (*.db)
DBase Format (K.dbf)
Excel 5.0 Format (".xls)
Export Results
1 Coralville.xls
]l E Onondaga.xls
l- E Onondaga.xls
l HOnondaga.xls
l Trussville cal.xls
lWB.xls
±J
Save
Cancel
Comma Separated (".csv] Uj^
cnltc i I|«iTfi«=tni. iLnuc-gicGiioj
I i atoms]
, peri.]
2.5 Site Information
Click on Site on the main screen to access site information. Five site types are available:
pond, lake, stream (creek or river), reservoir, and limnocorral (an experimental enclosure).
Site Types
There are five types of sites. Lakes, reservoirs, and ponds are treated similarly
in AQUATOX; only the default extinction coefficients for water differ. However,
their implementation is often quite different. Limnocorrals differ because the area of
the enclosure wall is specified and enters into the computation of area
colonization by periphyton.
screen for
entry of data on
Streams differ
even more in
slope, roughness (Manning
that they have
's coefficient),
available for
an additional
and percent
habitat distribution. Implementation considerations are given below.
Type
Pond and
Limnocorral
Lake
Reservoir
Stream/river
Discharge
unimportant
site -specific
important
v. important
Plants
periphyton,
macrophytes
phytoplankton
phytoplankton
periphyton
bryophytes
Invertebrates
zoobenthos,
zooplankton
zooplankton
zooplankton
zoobenthos
Detritus
autochtho-
nous
autochth.
+/- allochth.
allochtho-
nous
allochtho-
nous
Stratified
no
often
often
no
49
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Site: Duluth Enclosure '•',
Edit Underlying Site Data
N
^
Load Site From DB
Remineralization
Reload Remin. From DB
^.^Sv^Sv^Sv^Sv^Sv^Sv^S.S^
He
Site Type: ,
r Pond
r Lake
f~ Stream i ,
r Reservoir
<• Limnocorral
Ip |>."*'";t v/ OK j
A limited number of sites can be loaded from the database, but ordinarily one would Edit
Underlying Site Data, to modify a default site to represent a new site. The site data screen is for
entry of site characteristics. If a site does not stratify, enter the same temperature values for
"hypolimnion" as for "epilimnion." Several characteristics such as alkalinity are not used at this
time, so they are grayed out.
50
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
SiteMamB |Duiiithli
hte Length (or reach)
y0l tart/ used IS carted Wo
wsief wtest slate vwj
Surface Arm
Menn 0«pth
Maximum Depth
Ave Epilimnitic
Ttmp
EpilimoaliL Ttmp
Range
/»ve Hypdfmigtic
Temp
Temp Range
Lattade
(Nig. In So. Hemtephsre)
Awtagt Light
Annual Light Rtrwji
nclosure E
O/*Q rVste- '4!l!i!l™]l:i:i:J i
OKC LJala, \
Rcfcrencea: E
0.01 km Duliith pond enclosure E
3.0«»E»01 «3 US EPA 1988, p. 77 |
5.00«)E*111 w* " E
ti.nnnnt 01 m mean," E
I.IBOOE'OO m |
13 "C |
13 »c
24 "C
258 L?*d |htlp://snlslii:B.crest.arg, cniivertHtf E
387 L,/d fhnp^hNin.cre«.oig. coiiMitod
/ 1 i . . p7s~T • < • , i . . E
!?!! i.- . '.. • [ilsT - , |
HI r. '. aw ' ' , , . - |
till r- .. . ;,ve , ' , • • ,. ' |
17.7 m2 US EPA 1989 |
?« i^ ^i^a, i
If the site is a stream, one can click on Stream Data to edit site characteristics such as
the channel slope, the Manning's roughness coefficient, and percent habitats. If inorganic
sediments are being simulated, the user also can enter site-specific parameters for critical shear
stresses and fall velocities.
51
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
$£Edit Stream Data
-Jnjxj
Stream Parameters:
Reference:
Channel Slope
Maximum Channel Depth
Before Flooding
Sediment Depth
(m/m) |from #2 to #3
7" rrr — r
4 rn Default
I
5 m [Default
Mannings Coefficient:
Estimate based on Stream Type: or f" use the below value:
I 0 s / m1'3
natural stream
River Habitats Represented
Percent Riffle |
Percent Pool I
i *
Percent Run 70.00 % (All Habitat that is not Riffle or Pool)
Percent Run
70.00 % (All Habitat that is not Riffle or Pool)
Silt Parameters
References:
Critical Shear Stress
for Scour I OJ k^/m2 I-"*"-"
0.1 kg/m2 [default
Fall Velocity | B.89E-5 m/s '
Critical Shear Stress
for Deposition
Critical Shear Stress
for Scour
Critical Shear Stress
for Deposition
default
Clay Parameters
References:
0.6 kg/m2 !default
0.07 kg/m2 |default
Fall Velocity | 1.02E-5 m/s [default
Help
QK
52
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
The Remineralization parameter screen can be accessed; but these are global parameters
that usually would not be changed for a particular site.
AQUATOX- Edit Remineralization
Load from Library j Save to Library LlJ&Kl
Print
Default Remin Record
Help
Remineralization Data:
Max. Degrdn. Rate, Labile
Max. Degrdn. Rate, Refrac.
(ColonizeMax)
Optimum Temperature
Maximum Temperature
Min. pH for Degradation
Max. pH for Degradation
Organics to Phosphate
Organicsto Ammonia
62: Biomass, Respiration
02'. N, Nitrification
Detrital Bed. Rate
References:
0.29 gig -d ISaunders in LeCren et al. 1980
0.01 g/g d ISaunders in LeCren et al. 1900 (0.141.04)
25 °C
(Alexander Ifi1
65 "c
8.5
0.018 frac.
Lyman et al.TEiFrancis et al. in Hendrei
Lyman et al., U2
Redfielcl "58 ratio
0.079 frac.
0.575 ratio jWinfield et al., 71 & Redfield "58
4.57 ratio
0.15 o/rn d Collins SWIosinski "83 (0.69)
2.6 Using the Toolbar
Virtually every function in AQUATOX can be accessed by clicking on the applicable
icon on the toolbar. For the experienced user they provide a quick way to bring up a particular
screen or to perform a function, such as saving a simulation, without going through several
layers of options in the menu bar or the "big buttons." (The big buttons can be suppressed
entirely through the View menu option.) The icons can be added, deleted, or moved by clicking
on Edit Toolbar under the View menu option. This is also a good way to learn the functions of
the icons. There are 32 icons that are listed and can be used, compared to the 24 icons shown on
the default toolbar. One can also use dividers to visually group icons representing similar
functions.
13
53
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Edit the Toolbar
You may reorder buttons that are on the toolbar by
dragging them to a new location, drag the buttons
from below onto the toolbar, or drag buttons from
the toolbar into the trash can to the right.
«Wp
13
1
0
^>
E>
§>
S-
<&>
xJ
t
A.
Enter the AQUATOX Wizard
Open File
Close File
Save File
N
h
Save File As
Export Perturbed Results
Export Control Results
Printer Setup
Run Batch Mode
Exit AQUATOX
Mi rla "Tnnlh-ar 1
Help
2.7 Running Batch Mode
There are applications where it is desirable to run a series of studies automatically. This
can be done by creating a Batch subdirectory under the Study directory and placing studies with
appropriately chosen options in it. The subdirectory should also contain a text file labeled
"batch.txt" that lists the names of the studies to be run, one to a line. On the menu bar you should
click on Run Batch on the pull-down File window. That will open a window that allows you to
Run in Batch Mode. You also can save the BAFs and organic-matter partition coefficients
(KOMs) to a comma-separated text file batchout.csv. (See the Technical Documentation for
discussion of bioaccumulation of organic toxicants, BAFs and KOMs.) The Help button will
give you context-sensitive help.
Important Specifications for Batch Mode:
• To run a program in batch mode, you must have a subdirectory under your Studies
Subdirectory named "batch."
54
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
In that "batch" subdirectory must be all studies you wish to run along with a file named
"batch.txt."
The batch.txt file must include each study name that you wish to run on a separate line. No
blank lines may be included.
The program will then execute each of the specified studies one by one and save them along
with their results.
To output the last BAF datapoint for each organism in each of the batch files, select the
Output button. This will open each study and write all the BAF data from each study file
into a CSV file named batchout.csv.
M AQUATOX- Main Window
File View Library Study Window Help
New Simulation Wizard
Edit with Wizard
Open...
Close
Close All
Save
Save As...
Export
Export Control Results
Export to Genscn
Import Data from SWAT
Print...
Print Setup...
Run Batch
Exit
1; C:\AQUATOX\Studies\Onondaga.aps
2; C:\AQLJATOX\Studies\ESfenPOND.aps
3; C; \,,, \Habitat\Studies\Distrib\ESfenPOND, aps
4; C;\...\Habitat\Studies\Atrazine\Atrazine 12-03 69,aps
5; C:\...\Habitat\Studies\Atrazine\Atrazine 12-01 69.aps
Run in Batch'MaW
Run In Batch Mode
Output KQMs from Batch Mode
15
i Cancel I
Help
55
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
2.8 The Wizard
The Wizard is intended to guide the user through the 19 steps necessary to set up a new
simulation. Even experienced users may find it to be a convenient checklist, providing a
measure of quality assurance not usually found in models. Most steps consist of several parts,
and one can move systematically through these by making choices or entering values, then
clicking on Next.
The Progress Screen lists the steps and shows which step is currently active. It also
provides a means of skipping from one step to another by double-clicking on any step in order to
move there.
The Summary Screen lists the state and loading variables as they are changed while
going through the Wizard.
..tep 1 Cimulfltion T\pe
Step 2: Simulation Period
Step 3: Nutrients
Step 4: Detritus
Step 5: Plants
Step 6: Invertebrates
Step 7: Fish
Step 8: Site Characteristics
Step &. Water Volume
Step 10: Water Temperature
Step 11: Wind Loading
Step 12: Light Loading
Step 13: Water pH
Step 14: Inorganic Solids
Step 15: Chemicals
Step 16: Inflow Loadings
Step 17: Direct Precipitation
Step 18: Point-source Loadings
Step 19: Nonpoiot-source Loads
(double click on any step to jump them
*
Hide Progress |
Welcome to the AQUATOX Setup Wizard:
This wizard allows you to modify your existing AQUATOX
simulation.
Available to your left is a progress window that shows you
several ways in which you can modify your simulation. You
may double-click on any step in that window to move there.
To your right is a simulation summary window that shows you
some of the changes to your simulation as you go about
moduying it.
Notes
Show Progress
IM« Show Summary
Simulation Name: CHLORPVR1FOS 6 ug^L
Simulation Type: Limnoeorral
State Variables in Simulation:
solved org. tox 1: [Chlorpyrifos]
Ammonia as H
Edit With Wizard
Help
itus
tus
lueti detritus
itritus
fit us
ms]
ihyton, Diatoms]
tclonium, peri.]
-greens]
haraj
lironornid]
laphnia]
[Green Sunfish, VOYJ
[Shiner]
[Green Sunfish, Adult]
Hide Summary
Stepl: Simulation Type
The name for the simulation will appear on the main screen and will be used as a heading
in the output. Five site types are available: pond, lake, stream (creek or river), reservoir, and
limnocorral (an experimental enclosure).
56
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Simulation Setup Wizard
Step 1: Simulation Type
Enter a Name for the Simulation:
CHLORPYEIFOS 6 ug/L
Select The Type of System to be Simulated:
(~ Pond
<~ Lake
<~ Stream
<~ Reservoir
& Limnocorral
Help
Show Progress
• Show Summary
Step 2: Simulation Time Period
The time period for the simulation may be a few days, corresponding to an experiment, or
a year, or even several decades. The time period does not have to correspond to the loadings,
because the loadings can be interpolated automatically. However, it is advisable to consider the
correspondence between the start date and the initial conditions; if the initial conditions are
poorly known then a start date in the middle of winter may allow the simulation to "spin up"
before going into the growing season. Years have to be entered as four digits.
AQUATOX- Simulation Setup Wizard
Step 2: Simulation Time-Period
Please enter the tune period over which you wish to run this simulation.
Date Format is M/d/yyyy
Start Date:
End Date: 9/19/1986
Help
Show Progress
Show Summary
57
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Step 3: Nutrients
Initial conditions for dissolved nutrients must be entered. Phosphate can be considered as
soluble reactive phosphate; by going into the phosphate loading screen phosphate can be
adjusted for availability. Because of interchange with the atmosphere, the model is not very
sensitive to the initial conditions for carbon dioxide and dissolved oxygen.
AQUATOX- Simulation Setup Wizard
Step 3: Nutrients
An AQUATOX simulation includes Ammonia, Nitrate, Phosphate, Carbon
Dioxide, and Oxygen.
Please enter initial concentrations for each of these nutrients in your
simulation:
Ammonia as N IJIO.
Nitrate as N
0.05
Phosphate as P 0.05
Carbon Dioxide 11.5
Oxygen
12
Help
mg/L
mg/L
mg/L
mg/L
mg/L
Show Progress
Show Summary
Step 4: Detritus
Labile detritus is readily decomposed and assimilated, refractory is resistant to break
down.
58
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
AQUATOX- Simulation Setup Wizard
Step 4: Detritus (Sediment Bed)
An AQUATOX simulation includes both "refractory" and "labile" detritus in the
sediment bed and in the water column.
Click here for Definitions
Please enter Initial Conditions for Detritus in the Sediment Bed:
Labile Detritus 10
Refractory Detritus 1200
g/m2
g/m2
Help
Show Progress I
Show Summary I
Initial conditions and loadings of detritus in the water column can be input as Organic
Matter (dry weight), Organic Carbon, or Biochemical Oxygen Demand (BOD) and the model
will make the necessary conversions. Suspended and dissolved detritus initial conditions and
loadings are divided into four compartments: particulate refractory and labile detritus and
dissolved refractory and labile organic matter. Initial conditions and loadings are parsed by
specifying % particulate and % refractory.
AQUATOX- Simulation Setup Wizard
Step 4: Detritus (Water Column)
In the water column, detrital data can be input in terms of organic matter, organic
carbon, or Biochemical Oxygen Demand. Which form of data do you wish to use?
(• Organic Matter
f~ Organic Carbon
r B.O.D.
Enter the initial condition within of detritus in
the water column:
What percentage of that initial condition is
particulate detritus? (as opposed to dissolved)
What percentage of that initial condition is
refractory detritus? (as opposed to labile)
28
54
mg.'L
(0-100)
(0-100)
Help
Show Progress
Show Summary
59
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
Step 5: Plants to Simulate
The user is provided with a list of plants for each taxonomic group from which to choose.
These reflect the organisms that are in the current data libraries.
AQUATOX- Simulation Setup Wizard
Step 5: Plants to Simulate (Diatoms)
Within AQUATOX, plants are classified as Diatoms, Greens, Blue Greens, Other
Algae, and Macrophytes.
To add a Diatoms Compartment to the simulation, drag its name from the list of
available Diatoms to the simulation box on the right. To remove a Diatoms
Compartment from the simulation, select it and click the Remove button below.
Available Diatoms:
Asterionella
Cyctotella
Cyclotella nana
Diatoms
Periphyton, Diatoms
Diatoms in Simulation:
(Maximum of Two)
Diatoms!:jDiatoms]
Diatoms2: Periphyton,Diatoms]
E Help ! i « Back
Next »
| Show Progress
Finish
Initial conditions should be entered for each plant group; as with any biotic group, a value
of "0" coupled with 0 loadings will keep the group from being simulated. Note that the units are
sensitive to whether the plant is planktonic or benthic.
Step 5: Plant Initial Conditions:
Enter initial conditions for each of the ]
Diatoms 1: [Diatoms]
Diatoms J:
[Periphyton, Diatoms]
Greens 1:
[Stigeoctonium, peri.]
Bl-greenl :
[Blue-greens]
Macrophytel:[Chara]
Help « Back H! Neirt >>
f p|' t»-"
lants in this simulation: -
0.3 mg/L, ;
1 g/sq-m ;
1 g/sq-m ;
5 mg^L I
105 g/s4j« ;
60
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Step 6: Invertebrates to Simulate
The user is presented with a list of invertebrates for each ecological guild from which to
choose. As with the plants, this list reflects the organisms currently in the data libraries. Some
are general taxonomic groups and some are genera and species. The initial conditions are either
mg/L or g/m2, depending on the mode of life (pelagic or benthic).
Step 6: Invertebrates to Simulate (Sed Feeders)
Within AQUATOX, invertebrates are classified as Shredders, Sediment Feeders,
Suspension Feeders, Clams, Grazers, Snails, and Predatory Invertebrates.
To add a Sed Feeder Compartment to the simulation, drag its name from the list of
available Sed Feeders to the simulation box on the right. To remove a Sed Feeder
Compartment from the simulation, select it and click the Remove button below.
Available Sed Feeders:
Amphipod
diiranomid
Cxicotopus
Isopod
Oligochaete
Ostracode
Tricorytiiodes
Tubiiex tubifex
Sed Feeders in Simulation:
(Maximum of Two)
SedFeederl: [Chironomld]
Help
TvE
zT
Show Progress
Show Summary
Step 7: Fish Species
Altogether, it is possible to model 13 fish species. Nominally, fish are classified as
forage fish, bottom fish, and game fish, with two species for each general class. Usually two size
classes are modeled for each species, but separate species can be modeled instead. Furthermore,
one species can be modeled as multiple year classes. For each guild, the user can choose from a
list of species in the database. The guild designations do not determine the feeding preferences-
those are specified by the trophic interaction matrix, which is accessed by editing the state
variable from the main screen; therefore, one could ignore the guild designations and
parameterize the fish whatever way is appropriate. Initial conditions are given as g/m2 because
it is easiest to express biomass on an areal basis, and field data are usually available in that form.
61
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AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
.Jfljxj
Step 1: Simulation Type
Step 2: Simulation Period
Step 3: Nutrients
Step 4: Detritus
Step 5: Plants
Step 8: Invertebrates
^ Step 7: Fish
Step 8: Site Characteristics
Step 9: Water Volume
Step 10: Water Temperature
Step 11: Wind Loading
Step 12: Light Loading
Step 13: Water pH
Step 14: Inorganic Solids
Step 15: Chemicals
Step 16: Inflow Loadings
Step 17: Direct Precipitation
Step 18: Point-source Loadings
Step 19: Nonpoint-source Loads
(double click on any step to jump there)
Notes
Window Help Acrobat
Simulation Name: CHLOHPYRIFOS 6 ugiL
Simulation Type: Limnocorral
State Variables in Simulation:
,- felt
pi*
Step 7: Fish Species
Within AQUATOX, fish are classified as forage fish, bottom fish, and game fish.
Furthermore, a fish species may be simulated as a single compartment, two
size-class compartments, or multiple age-class compartments.
Below is the list offish included in the current simulation. Click the [Add] or
[Remove] buttons to modify this list, or the [Next] button to move on.
Fish Species in Simulation:
Green Sunfish : forage fish, two size-class fish
Shiner: large forage fish, single-compartment fish
Dissolved org.tox 1: [Chlorpyrrfos] *
Ammonia as H
sh.
'"'
'••'
r
'""
rrtus
itus
Ived detritus
etritus
ritus
ms]
ihyton, Diatoms]
Dclonium, peri.]
•greens]
hara]
lironomid]
laphnia]
[Green Sunfish, VOY]
, »».; .1
Add a Fish Species
Help
: Back Next » I
Do you wish to add this fish species as a single
compartment, two size-classes, or multiple age-classes?
& Single Compartment
<~ Size-Class
<~ Age-Class
Edit With Wizard
Help
Cancel
Help
Select Class of Fish
Which classification offish do you wish to add to the
simulation?
<" Small Forage Fish
<" Small Bottom Fish
<~ Small Game Fish
<"* Large Forage Fish
(~ Large Bottom Fish
(• Large Game Fish
OK
Cancel
Help
62
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Select Fish Species R
Select the game fish species you wish to
model:
Lake Trout !
Largemouth Bass, Lg
Largemouth Bass, YOY
Northern Pike
Rainbow Trout
Smallmouth Bass, Lg
Smallmouth Bass, YOY
Walleye
Yellow Perch
Yellow Perch, Lg
Yellow Perch, YOY
OK | Help |
Step 8: Site Characteristics
The most important morphometric characteristic is mean depth because that controls light
penetration, volatilization, and attached plant distribution. Mean annual evaporation is used for
computing the water balance. Latitude is used to compute photoperiod for photosynthesis. The
wall area is important for a limnocorral because it represents additional area for attachment of
periphyton.
AQUATOX- Simulation Setup Wizard
Step 8: Site Characteristics
Please fill in appropriate data for your limnocorral below:
Site Name
Site Length or Reach |o.01
Surface Area pO
Mean Depth jO^i
Maximum Depth 1-1
Mean Evaporation 20
Latitude T7Z
(Neg. in So. Hemisphere) S
Limno c orral Wall Area 17.7
in./year
degrees
m2
Help
Show Progress
Show Summan
63
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
The site characteristics screen is sensitive to the type of site, so that a stream has an
additional screen.
AQUATOX- Simulation Setup Wizard
Step 8: Site Characteristic si, Additional Stream Data
Modeling a stream requires some additional parameters:
Channel Slope 10.004
m/m
Manning's coefficient may be estimated based on stream type or it may be
entered manually. 'Which would you like to do?
''• Estimate Based on Stream Type:
Stream Type |natural stream
Enter Manning's Coefficient Directly:
s / m
The bottom surface of streams are composed of "riffles," "runs," and "pools,"
Percent Riffle: Il5Percent Pool: LL5 Percent Run: 70
Help
Show Progress
Show Summary
Step 9: Water Volume Data
Depending on the method chosen, inflow or discharge values may be required. The
Manning's equation can be used to compute changing volumes in a stream. The simplest
procedure is to hold volume constant at the initial condition. Volume can be computed
dynamically, given the inflow and outflow (and factoring in evaporation). Finally, time series of
known values can be entered, as was done for this closely monitored limnocorral.
AQUATOX- Simulation Setup Wizard
Step 9: Water Volume Data
AQUATOX can simulate the water volume in several different ways:
- The water volume can be kept constant given an inflow volume.
- The water flow can vary dynamically given an inflow and a discharge.
- The volume can be set to known values given an inflow of water.
Select a method for modeling water volume:
<~ Keep Volume Constant
<~ Vary Given Inflow and Outflow
ff ! Set to Known Values!
Help
Show Progress
Show Summary
64
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
If the site is a stream then there is an additional option, using the Manning's equation (see
Volume 2) to compute the volume.
AQUATOX- Simulation Setup Wizard
Step 9: Water Volume Data
AQUATOX can simulate the water volume in several different ways:
- The water volume can be kept constant given an inflow volume.
- The water flow can vary dynamically given an inflow and a discharge.
- The volume can be set to known values given an inflow of water.
- For a stream, Manning's Equation can be used to calculate the water volume.
Select a method for modeling water volume:
f
Use Mannings Equation
Keep Volume Constant
Vary Given Inflow and Outflow
Set to Known Values
Help
Show Progress
Show Summary
AQUATOX- Simulation Setup Wizard
Step 9: Use Manning's Equation for Volume
Enter the initial condition for the volume of the water body: J2.300E+3 :
You must enter discharge data to use Manning's equation to calculate volume:
C Use Constant Outflow of
Use Dynamic Outflow
Date
6/26/1988
6/27/1988
6/28/1988
6/29/1988
iy 6/30/1 988
f \ ,
1 Loading ±J
4.6485e04
4.6485e04
4A039e04
4.4039e04
4.6485e04 H
\ •' 1 Import
About Dynamic Data
j m
1
,,,,,,, . . . A . ^L „
Step 10: Water Temperature
Temperature is a driving variable and is not computed as a state variable based on a heat
budget. A constant temperature, annual mean and range in temperature, or time-series can be
entered. Except for stratified lakes and reservoirs, the model is not very sensitive to temperature,
so a sinusoidal function based on the annual mean and range is often sufficient. Even a stratified
65
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
system usually can be modeled with sinusoidal functions for the epilimnion and hypolimnion
temperatures. If stratification is not desired, enter the same temperature values for "epilimnion"
and "hypolimnion."
AQUATOX- Simulation Setup Wizard
Step 10: Water Temperature
AQUATOX can simulate the water temperature in three different ways:
- Water temperature may remain constant.
- Annual mean and range may be used to calculate site temperature.
- A time-varying temperature may be input or imported.
Select a method for modeling water temperature:
f~ Enter Constant Temperature
<* \JJse Annual Mean and Rangej
f^Use Time-Varying Temperature
Help
Show Progress
Show Summary
AQUATOX- Simulation Setup Wizard
Step 10: Use Annual Mean and Range for Temperature
To use Annual Means to calculate Temperature, you must enter data about the
mean temperature and the temperature range in the water.
These data must be entered for the epilimnion and the hyponmnion if stratification is
to occur. If no stratification is desired, enter the same data for the hypolimnion as
you do for the epilimnion.
Average Temperature |13
Temperature Range (24
Avg. Hypolimnion Temp. 13
Hypolimnion Temp. Range 24
deg. C
deg. C
deg. C
deg. C
Help
Show Progress
Show Summary
Step 11: Wind Loadings
Wind loadings can be constant, a time series can be entered, or a default time series can
be used. The default is a 140-day record from Columbia, Missouri, represented by a Fourier
series, with a mean value that can be specified by the user (the default is 3 m/s). Near-surface
66
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AOUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
blue-green algae are represented as being sensitive to wind, so a realistically varying sequence of
synthetic wind values provides a better simulation than a constant value.
AOUATOX- Simulation Setup Wizard
Step 11: Wind Loadings
AQUATOX can simulate the wind loadings in three different ways:
- Wind loadings may remain constant.
- A default time-series may be used to calculate wind loadings.
- A time-varying wind loading may be input or imported.
Select a method for modeling wind loadings
f" Enter Constant Wind
Help
Use Time- Varying Wind
Show Progress
Show Summary
Cancel I Finish
Step 12: Light Loading
Constant, time series, and annual mean and range may be given for light in Langleys/day.
The photoperiod is usually computed from the latitude, which is a site characteristic; however,
the user can specify a constant photoperiod-useful in modeling some experimental facilities.
AQUATOX- Simulation Setup Wizard
Step 12: Light Loading
Light loadings at the water's smface may be calculated in three different ways:
- Use a constant light loading.
- Use annual mean and range for the site.
- Use a time-varying light loading.
Select a method for modeling light loadings:
f~ Enter Constant Light
Help
Time- Varying Light
Show Progress
Show Summary
eel I Finish |
67
-------
AOUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AOUATOX- Simulation Setup Wizard
Step 12: Use Annual Mean and Range for Light Loadings
AQUATOX will calculate the light loading based on the information you provide on
this screen and the date.
Photoperiod can be computed based on Latitude (entered in the site screen) or you
can enter a constant photoperiod:
f* Compute from Latitude
Help
Use Constant Photoperiod of HI
Average Light 258
Annual Light Range |387
Ly/d
Ly/d
« Back i Next »
Show Progress I
Show Summary J
Cancel I Finish
Step 13: pH of Water
At present pH must be specified by the user, either as a constant or as a time series.
AQUATOX- Simulation Setup Wizard
Step 13: pH of water
The pH of the system can stay constant or it can vary over time.
Select a method for modeling pH:
& ! Enter Constant pJHj
tfc
<~ Use Time-Varying pH
Help
« Back Next »
Show Progress
Show Summary
Cancel Finish
68
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Step 14: Inorganic Solids
AQUATOX can simulate sand, silt, and clay, but only in streams. For standing water an
alternative is to use total suspended solids as a measure of inorganic solids. The model subtracts
phytoplankton and detritus from the TSS to estimate the inorganic solids; therefore, care should
be taken to use contemporaneous TSS and nutrient time series.
IQUATOX-
Step
- Simulation Setup Wizard
-X*.;'
14: Inorganic Solids j j
Do you wish to simulate Inorganic Solids within the system? E i
r
r
(sa
No, Don't Simulate Inorganics E i
[Yesiliniiatelf Si j |
^Vts. I.:«- Saml Sill Clay '.Modi I.
id-silt-clay for rtvsrs or streams only) \ j
Select a method for modeling TSS: E i
Help
« Back
<* Enter Constant TSS | | j
r Use Time- Varying TSS
I i. ' i
i j Show Progress t j
' - .^- |
™==^-^- -™r lrcr
Step
14: Inorganic Solids j
Do you wish to simulate Inorganic Solids within the system? E
r
r
No, Don't Simulate Inorganics E
Yes, Simulate TSS E
^[4 Yes, Use Sand- Silt- Clay Model E
l> E
(sand-stlt-clay for rivers or streams only) \
"At
E| Help
fpft
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
AQUATOX- Simulation Setup Wizard
Step 14: Sand Silt & Clay Parameters
Sand:
Initial fraction in bed sediments: 0.4
Initial concentration in water: JO
Critical shear stress for scour: N. A.
Critical shear stress for deposition: N. A.
Fall velocity: N. A.
(See wizard steps 16-19 for external loadings of sand, silt, and clay)
fractions
(must sum to LO)
mg.L
Help
Show Progress
Show Summary
Step 15: Chemicals to Simulate
AQUATOX can simulate as many as 20 different organic chemicals simultaneously. The
assumption is that the toxic effects are additive. Initial concentrations for each toxicant are
required for all associated state variables; as a check, the model calculates the total mass.
AQUATOX- Simulation Setup Wizard
Step 15: Chemicals to Simulate
Below is the list of chemicals in the AQUATOX database that you can simulate. The
list of chemicals in your simulation is also displayed. Select a chemical on the left and
click the "Add" button to add it to your simulation.
Available Organic Chemicals:
Chemicals in Simulation:
2,4-D Acid
Acrokin
Alachlor
Aldicarb
Anthracene
Atrazine
Azinphos
Bromacil
Broinoxynil
Butylate
Carbaiyl
Carbofuran
Chlordane
CMorpyrifbs
Help
fasotod org.J>\ 1: [ChlorpjiTfis) \
Show Progress
Show Summary
70
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Step 15: Initts
This chemical
initial condition
Help
il Condition: Dissolved org. tox 1: [Chlorpyrifos] j
s associated with many components within the simulation. Enter E
is for any components you wish to start with above-zero toxicant. E
Chlorpyrifes In Water
TlinRdetrsed
TlinLdetrsed
Tl in Susp and Diss Detritus
Tl InBuryRDetr
TlinBuryLDetr
Tl in Diatoms
TluiPerfchyton,Di
Total Initial Condition Ma
O'=====3f
: Next » j
6.3 ug/L E
0 «g/kg |
0 ug/kg
0 "8*8 J
0 Kg/cujn E
0 Kg/cu-m E
0 ug/kg |
0 ug/kg j j
ss of Chlorpyrifos: 0.000189kg 1
t^ L
Step 16: Inflow Loadings
The Wizard compiles a list of all variables that may be loaded as concentrations in
inflowing water. The units are sensitive to each given variable. Note that choosing any dynamic
loading without entering at least one value will be interpreted as loadings of zero. Occasionally
a user may wish to ignore all loadings for a state variable, such as when performing complex
alternate simulations; this capability exists through the Wizard and each of the loading screens.
AQUATOX- Simulation Setup Wizard
Step 16: Inflow Loadings
The below list shows the modeled components of the water directly flowing into the
simulation. You can specify constant or dynamic loadings for each of these
components. To do so, select a component from the list and enter the loading below:
Ignore ALL Loadings for this State Variable
r Use Constant Loading of
Inflow Loadings in Simulation:
Inflow T1HZO
Inflow NH4
Inflow PO4 [\
Inflow CO2 $
Inflow Oxygen
Inflow Susp and Diss Detr
Inflow Diatoms
Inflow Periphytnn, Di
Inflow Stigeocloniunt,
Inflow Blue-greens
Inflow Chara
Inflow Chironomid
Inflow Daphnia
Inflow Green Kiinfich.
Help
ji" 1 mg/L
f*° Use Dynamic Loadings
Date
1/7/1994
1/13/1994
1/14/1994
1/16/1994
F 1/31/1994
1 Loading ^
0.0000
0.0000
30JOOOO
0.0000
3JOOOO —
mg/L
+ - *
Import
About Dynamic Data \
Show Progress
Show Summary
71
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 2
Step 17: Direct Precipitation Loadings
Another screen lists loadings from atmospheric deposition ("direct precipitation" and dry-
fall). The units are on an areal basis because deposition is on the surface of the water.
AQUATOX- Simulation Setup Wizard =
Step 17: Direct Precipitation Loadings
The below list shows the modeled components of the direct precipitation coming into
the simulation. You can specify constant or dynamic loadings for each of these
components. To do so, select a component from the list and enter the loading below:
f~ Ignore ALL Loadings for this State Variable
Direct Precipitation Loadings:
(Direct Precip. of T1H20
Direct Precip. of NH4
Direct Prec^. of NO3
Direct frecif. of P 04
Help
<• Use Constant Loading of
(am g/m2d
C~ Use Dynamic Loadings
[Loading
[Pate
I
Import
About Dynamic Data \
Show Progress
Show Summary
Step 18: Point-source Loadings
Point-source loadings are entered as mass per day (g/d) to the water body.
AQUATOX- Simulation Setup Wizard
Step IS: Point Source Loadings;
The below list shows the point-source loadings that can be modeled within the
simulation. You can specify constant or dynamic loadings for each of these
components. To do so, select a component from the list and enter the loading below:
Point-Source Loadings:
Point-Source Tl H2O
Point-Source NH4
Point-Source NO3
Point-Source PO4
Help
startLo'adir^'o|
'= fit
Use Dynamic Loadings
g/d
Import
About Dynamic Data
Show Progress
Show Summary
72
-------
AQUATOX (RELEASE 2} USER'S MANUAL
CHAPTER 2
Step 19: Nonpoint-source Loadings
Nonpoint-source loadings are also entered as mass per day (g/d) to the water body.
Step 19: Nonpoint-Source Loadings |
The below list shows the non point-source loadings that can be modeled within the £
simulation. You can specify constant or dynamic loadings for each of these £
components. To do so, select a component from the list and enter the loading below: £
F Ignore ALL Loadings for this State Variable £
Nonpoint- Source Loadings: £
| Non Point- Source Tl H2O
^^:Non Point- Source NH4
Non Point-Source NO3 [S
Non Point-Source P04 ^
Non Point- Source Susp and Diss Detr
Help « Back | Next »
1 [o s/d
C Use Dynamic Loadings
{Date Loading fjjjjj
A ; =
] - | Import
About Dynamic Data |
£
g/d |
J 1
Finish 1
Wizard Completion
When you have completed the 19 steps in the Wizard, you should review the parameter
files for the individual state variables because they are not subject to editing through the Wizard.
AQUATOX- Simulation Setup Wizard
AQUATOX Setup Wizard Complete:
Congratulations! You have successfully set up an AQUATOX
simulation. Press to exit the wizard.
After exiting the wizard, press to execute your
simulation with toxicants. Press to execute your
simulation without toxicants, and
-------
AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 2
74
-------
AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 3
3 DATA CONSIDERATIONS
AQUATOX has many possible loading variables and process-level parameters. What
input data are most critical for the simulations? The answer depends on the goals of the
simulation and the site-specific requirements. By using the principles outlined later in
Uncertainty Analysis, one can perform sensitivity analysis to identify the more sensitive
parameters and loadings for a particular simulation. Sensitive parameters may require site-
specific determination or careful calibration. Some sensitive variables have been identified in
other studies and are listed below.
3.1 Toxicant
• The octanol-water partition coefficient is critical to bioaccumulation in organisms and
partitioning in detritus. It often can be estimated better than it can be measured.
• Henry' s law constant is important for volatilization and yet is often difficult to measure.
• Chemical and microbial degradation parameters determine the persistence in an
ecosystem. If only half-lives are reported, they should be represented as uncatalyzed
hydrolysis rates, which are not affected by seasonal conditions as are microbial rates.
• The thickness of the active layer, represented as the mass of sediment detritus, is
important because of the simplifying conceptualization in this version that treats
sediment-water interaction of contaminants as very efficient but restricted to the active
layer.
• Some toxicants, such as parathion, may bind more tightly to sediments than indicated by
organic partitioning. Estimation of the sediment partition coefficient may need to be
overridden with observed values.
3.2 Nutrients and Remineralization
• The fraction of phosphate that is available depends on the nature of the phosphate
loadings. The model distinguishes between detrital loadings, with implicit phosphorus
content that is more or less available depending on whether the material is refractory or
labile. Phosphate loadings may be in the dissolved phase or may be bound tightly in
mineral particles; the user accounts for these by varying the fraction available: 1.0 if the
phosphate is readily available and a small fraction if it is tightly bound.
• Release of phosphate from anaerobic sediments is not modeled at this time. Previously, it
was a constant (during periods of anoxia) and was set in the Remineralization screen. It
will be reinstated in the near future.
• Co-precipitation of phosphate with calcium carbonate is not modeled. In sites where that
is important the best work-around is probably to decrease the loading accordingly.
• Chemical oxygen demand is not modeled explicitly because of its site-specific nature; a
work-around would be to decrease oxygen loadings.
• Constant stoichiometry for nutrients in organic matter is a simplifying assumption. One
can change the value of the ratio of a given nutrient to organic matter in the
Remineralization screen. The Redfield et al. (1963) ratio is used as the default.
75
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 3
• The proportions of refractory and labile and dissolved and particulate organic matter in a
system control the rate of remineralization. Inappropriate initial conditions will cause a
transient response, but poor characterization of loadings may affect the long-term nutrient
budget and bioavailability of organic contaminants. If possible, obtain seasonal values
for total organic carbon (TOC), dissolved organic carbon (DOC), and biological oxygen
demand (BOD, which is labile); these can be used to obtain the necessary proportions.
Otherwise, consider the source of detritus loadings (forests, treatment plant, etc.) when
deciding how much may be refractory and particulate.
3.3 Plants
• Half-saturation constants for nutrients control how responsive phytoplankton and
periphyton are to eutrophication; parameter values may depend on trophic status.
• Maximum photosynthetic rates determine the competitiveness and resilience of algae;
observed rates vary greatly and composite rates, such as for a diatom community, are
most appropriate for most applications.
• The model assumes that blue-green algae float unless the wind exceeds 3 m/s; this makes
the model sensitive to the mean wind loading.
• Most macrophytes are sensitive to fall dieback; cold-tolerant groups, such as charaphytes,
should be so characterized with appropriately low optimal temperatures. Stream
bryophytes or moss are parameterized to be tolerant of low-light, cold conditions and are
subject to nutrient limitations; half-saturation constants for nutrients may require
calibration.
3.4 Animals
• Consumption of refractory detrital sediments by zoobenthos increases the degradation
rates of those sediments, increasing the simulated sediment oxygen demand and
remineralization. The user should assume that most zoobenthos selectively feed on labile
detritus, which includes freshly sedimented algae.
• The minimum biomass for feeding (BMiri) is seldom measured, yet the model can be very
sensitive to this. The BMin value protects prey from being totally consumed, but if it is
set too high the predators may starve to death. It may require site calibration.
• Half-saturation for feeding is very seldom measured, but it can significantly reduce
predicted feeding rates. Therefore, it should be set low in the absence of data.
• Consumption and respiration rates in fish are functions of body size. As a default, the
model uses the allometric equations presented by Hewett and Johnson (1992). Selection
of representative mean weights for use in the equations is important.
• Mortality rates may vary greatly from one site to another. This often becomes a
calibration parameter, especially since fishing pressure is not modeled and death due to
predation is separate in the model.
• If modeling an aquatic insect that emerges, be sure to select "Benthic Insect" in the drop-
down list in the parameter screen because otherwise emergence will not be simulated.
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 3
3.5 Inorganic Sediments
• Inorganic sediments are not explicitly modeled for standing water. They can be
simulated in streams, following the approach used in the HSPF model. However, if
sediment transport, burial, and scour are important, the model should be coupled to a
hydrodynamic model.
• Total suspended solids are used to back-calculate suspended silts and clays in the model.
This loading is compared with phytoplankton biomass in the computation of Secchi depth
and light extinction; therefore, it should be provided for the entire period of the
simulation (most loadings can be repeated automatically if the simulation period is longer
than the available data).
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 3
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 4
4 CALIBRATION FOR A CONTAMINATED STREAM
4.1 Introduction
Users often ask for guidance on the best way to calibrate such a complex model. This
section is intended to provide guidance for a typical ecosystem and bioaccumulation calibration
for a site given a minimum amount of data. The goal for any calibration should be to obtain a
good fit to observed data by varying as few parameters as possible and only within reported
ranges. The above section, Data Considerations, provides a list of sensitive parameters, and
applicable ones are considered in the following example.
Criteria for acceptance of a calibration depend in large part on the amount of available
data. In general, a weight-of-evidence approach should be taken with increasingly rigorous tests.
An example of calibration of AQUATOX using an extensive dataset was given by EPA (2001).
With minimal or sparse data the criteria may be restricted to less rigorous tests, including:
• Observation of long-term reasonable behavior based on general experience with similar
ecosystems;
• Stability of simulations of key compartments compared to observed initial conditions (does a
species or group maintain roughly the observed biomass used as a starting point?);
• General concordance based on visual inspection of data points compared to plots of model
results;
• Bracketing of observations by predicted bounds obtained from uncertainty analysis;
• Bracketing of predictions within ranges observed for replicated variables.
The Wizard provides a useful checklist for setting up a simulation, and it may provide the
structure for reviewing and changing initial conditions and loadings. It does not provide a means
for changing parameter values; and, therefore, it is not very useful for a typical calibration
involving the iterative modification of parameter values.
The example given below involves both ecosystem calibration and bioaccumulation
calibration for a stream contaminated with PCBs in central Tennessee. It is provided only as an
example and has no regulatory implications.
4.2 Review Initial Conditions and Driving Variable Data
Several study files with "EFPC" and "EForkPoplarCr" in their names are in the Studies
directory. These are provided because you may not wish to perform all the changes described in
this lengthy example. For purposes of illustration, we will begin with a prepared study labeled
EFPCSConst.aps (East Fork Poplar Creek, station 3, constant discharge). Load the study into
AQUATOX. However, before proceeding, let's save the study under a different name so that we
can preserve the original study file; we'll name it EForkPoplarCr.aps. Now click on Edit
With Wizard. Click on Next until Step 2. The two-year simulation period encompasses the
period for which we have PCB data. However, stream simulations tend to be slow because of
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
the dynamics of changing flow, and so for purposes of the tutorial we will reduce the end date
from 1993 to 1992. It would be desirable to use a longer simulation period to avoid transient
conditions, but we will do that only when checking the stability of the calibration and calibrating
the bioaccumulation.
Step 1; Simulation Type
••> Step 2: Simulation Period
Step 3: Nutrients
Step 4: Detritus
Step 5: Plants
Step 6; Invertebrates
Step 7: Fish
Step 8: Site Characteristics
Step 9: Water Volume
Step 10: Water Temperature
Step 11: Wind Loading
Step 12: Light Loading
Step 13: Water pH
Step 14: Inorganic Solids
Step 15' Chemicals
Step 16. Inflow Loadings
Step 17; Direct Precipitation
Step 18: Point-source Loading;
Step 19 Nonpoint-source Load;
(double click on any step to jump there
le Window Help Acrobat
•"' 4ffln4PJ 10C%
Normal
,. Tim.
Simulation Name: E. F POPt AR CREEK TH
Simulation Type: Stream
State Variables in Simulation:
Hide Progress |
Step 2: Simulation Time-Period
Please enter the time period over which you wish to run this simulation.
Dote Format is Mfajyyyy
Start Date: 1/1/1992
End Date: 12/31/199^
Dissolved org. tax 1: [PCB 1254] *
Ammonia as H
i
n
'
»
i
itus
tus
Ived detritus
rtritus
rrtus
thyton, Diatoms]
jclonium, peri.]
lyriophyilum]
nphipod]
(Baetis)J
ad g_m2J
[Shiner]
IStoneroller]
Largemouth Bass, VO
.argemouth Bass, Lg]
Help
Show Progress
Show Summary
Notes
Export Control
1Snaif1T7Gi'^rojj'oH''^~t;n'2]
LgForageFishl: [Shiner]
L(jBottomFish1: [Stoneroller]
Edit With Wizard
Help
d
In Step 3 observed values are given for nitrogen and phosphorus initial conditions;
carbon dioxide and oxygen values are based on approximate saturation levels.
AQUATOX- Simulation Setup Wizard
Step 3: Nutrients
An AQUATOX simulation includes Ammonia, Nitrate, Phosphate, Carbon
Dioxide, and Oxygen.
Please enter initial concentrations for each of these nutrients in your
simulation:
Ammonia as N
Nitrate as N
Phosphate as P
Carbon Dioxide
Oxygen
Help
Show Progress
Show Summary
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
The initial condition for organic detritus in the sediment bed is important because
AQUATOX assumes steady-state conditions for sediment burial. That is, as a simplifying
assumption, any organic detritus in excess of the initial condition is transferred to buried detritus
at the end of a year's simulation. The proportion of labile to refractory is not critical for initial
conditions, so we will guess that it is 1:2.
AQUATOX- Simulation Setup Wizard
Step 4: Detritus (Sediment Bed)
An AQUATOX simulation includes both "refractory" and "labile" detritus in the
sediment bed and in the water column.
Click here for Definitions
Please enter Initial Conditions for Detritus in the Sediment Bed:
Labile Detritus 2
g/m2
Refractory Detritus 4
Help
Show Progress
Show Summary
z
Cancel Finish
The detritus in the water column can be expressed as organic matter, organic carbon, or
BOD; we have an observation of 5 mg/L organic carbon, so we will use that form and value.
Seldom do we know the proportion of labile and refractory detritus. In this example, we know
that the stream is fed by outflow from a holding pond with high algal biomass, so we will use our
professional judgment that only 50% is refractory (it is often much higher) and that 30% is
particulate (it is often only 10% in lakes and reservoirs).
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Simulation Setup Wizard
Step 4: Detritus (Water Column)
In the water column, detrital data can be input in terms of organic matter, organic
carbon, or Biochemical Oxygen Demand. Which form of data do you wish to use?
f" Organic Matter
(• Organic Carbon
<~ B.O.D.
Enter the initial condition within of detritus in rr
the water column: I
What percentage of that initial condition is rr~
paiUculate detritus? (as opposed to dissolved) I
What percentage of that initial condition is rrr~
refractory detritus? (as opposed to labile) 1
mg/L
(0-100)
(0-100)
Help
Show Progress
Show Summary
In Step 5, which spans several screens, we choose the plants to simulate. Because East
Fork Poplar Creek is shallow in the reach we are simulating, we will assume that most of the
algae are periphyton. Therefore, we have chosen periphytic diatoms.
AQUATOX- Simulation Setup Wizard
Step 5: Plants to Simulate (Diatoms)
Within AQUATOX, plants are classified as Diatoms, Greens, BlueGreens, Other
Algae, and Macrophytes.
To add a Diatoms Compartment to the simulation, drag its name from the list of
available Diatoms to the simulation box on the right. To remove a Diatoms
Compartment from the simulation, select it and click the Remove button below.
Available Diatoms:
AsterumeTJa
Cyclotella
Cyclotella nana
Diatoms
Peiiphyton, Diatoms
Diatoms in Simulation:
(Maximum of Two)
Diatomsl: [Peiiphyton, Diatoms]
Help
Show Progress
Show Summary
For green algae, we have a choice between periphytic greens and Stigeoclonium, which is
a particular genus of periphytic green algae. We have chosen Stigeoclonium because it was
calibrated and validated for a stream on the other side of the ridge (see US EPA, 2001).
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CHAPTER 4
AQUATOX- Simulation Setup Wizard
Step 5: Plants to Simulate (Greens)
Within AQUATOX, plants are classified as Diatoms, Greens, Blue Greens, Other
Algae, and Macrophytes.
To add a Greens Compartment to the simulation, drag its name from the list of
available Greens to the simulation box on the right. To remove a Greens
Compartment from the simulation, select it and click the Remove button below.
Available Greens:
Greens
PeriphytoH, Greens
Stigeocloniujn, peri.
Greens in Simulation:
(Maximum of Two)
Greensl: [Stigeoclonhun,peri.]
Help
We will skip blue-green algae in the interest of using a minimal number of groups,
although often we would include it because of different growth characteristics and susceptibility
to grazing. For macrophytes, we will choose Fontinalis because this moss is well adapted to
shallow streams.
AQUATOX— Simulation Setup Wizard
Step 5: Plants to Simulate (Macrophytes)
Within AQUATOX, plants are classified as Diatoms, Greens, Blue Greens, Other
Algae, and Macrophytes.
To add a Macrophytes Compartment to the simulation, drag its name from the list of
available Macrophytes to the simulation box on the right. To remove a Macrophytes
Compartment from the simulation, select it and click the Remove button below.
Available Macrophytes:
Chara
Fontinalis
Myriophylliun
Macrophytes in Simulation:
(Maximum of Two)
Macrophytel: [Fontuialis]
Help
Initial conditions for plants are usually set at 0.5 or 1.0 g/m2. These and other initial
biomass values for which we have no site observations will be used as estimates, and better
initial conditions will be obtained from the ending values after a "spin-up" period of one to three
years to reach steady state.
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CHAPTER 4
AQUATOX- Simulation Setup Wizard
Step 5: Plant Initial Conditions:
Enter initial conditions for each of the plants in this simulation:
Diatoms 1: [
[Periphyton, Diatoms]
Greens1:
0.5
[Stigeocloniuin, peri.]
Macrophytel: IT
[Fontinalis]
0.5
g/sq-m
g/sq-m
Help
Show Progress
Show Summary
In Step 6 we have the opportunity to choose invertebrates representing several feeding
guilds and taxonomic groups. We will choose amphipods to represent the invertebrates that feed
on detritus in the sediments. We will choose mayfly (Baetis) larvae as a grazer, and we will
choose gastropods as another grazer (although they are a separate taxonomic group). We could
have chosen several other functional groups and we could have chosen two genera to represent
each group, but our goal is to model bioaccumulation in the food web with as few groups as
necessary to capture the ecosystem dynamics.
AQUATOX- Simulation Setup Wizard
Step 6: Invertebrates to Simulate (Sed Feeders)
Within AQUATOX, invertebrates are classified as Shredders, Sediment Feeders,
Suspension Feeders, Clams, Grazers, Snails, and Predatory Invertebrates.
To add a Sed Feeder Compartment to the simulation, drag its name from the list of
available Sed Feeders to the simulation box on the right. To remove a Sed Feeder
Compartment from the simulation, select it and click the Remove button below.
Available Sed Feeders:
Ajtiphipod
Chironoitiid
Cricotopus
Isopod
Oligochaete
Ostracode
Sed Feeders in Simulation:
(Maximum of Two)
Tricoryfliodes
Tub ilex tubifex
SedFeederl: [Ajnphipod]
f From Sirra fiction
Help
Show Progress
Show Summary
In the absence of data, we will set the initial conditions to 1.0 g/m2 for each of the
invertebrate groups.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Simulation Setup Wizard
Step 6: Invertebrate Initial Conditions:
Enter initial conditions for each of the invertebrates in this simulation:
Sedteederl: I,
[Amphipodl 1
liraierl: [Maytljr h
(Baetis)l I1
Snaill: [Gastropod) 1,
g/sq-m
g/sqjn
g/sqjn
Help
Show Progress
Show Summary I
We will model three fish species, based on what we know for this reach. Other species
can be added, and age classes could be simulated for bass, but we have insufficient data to
support such an approach. We will use two size classes for bass.
AQUATOX- Simulation Setup Wizard
Step 7: Fish Species
Within AQUATOX, fish are classified as forage fish, bottom fish, and game fish.
Furthermore, a fish species may be simulated as a single compartment, two
size-class compartments, or multiple age-class compartments.
Below is the list offish included in the current simulation. Click the [Add] or
[Remove] buttons to modify this list, or the [Next] button to move on.
Fish Species in Simulation:
Shiner:..lar^e forage fish, single^conipaiTtmeiit fish
Stoneroller: lai^e bottom fish, single-compartment fish
Largentouth Bass : game fish, two size-class fish
Add a Fish Species
| -, i
j Show Progress
i _. _
!
We do have some data on abundance of fish, although upstream of this site and of
unknown reliability; we convert those to biomass estimates and enter as initial conditions.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Simulation Setup Wizard
Step 7: Fish Initial Conditions:
Enter initial conditions for these fish in this simulation:
LgForageFishl: If. o
[SMner] I"'3
LgBottomFishl: r
[Sionerolfer] I4
SmGameFishl:
[Largemmith Bass,
LgGameFishl:
[Largemmith Bass,
0.4
g/sqjn
g/sqjtl
Cancel Finish
In Step 8 we can review and change site characteristics. The length is arbitrary, but the
surface area is important for computing depth as a function of changing discharge; it is good
practice to document the assumed channel width in the comment field for the surface area (which
is available in the site screen). One consideration in specifying the reach length: the shorter the
length and smaller the volume, the slower the simulation because retention time decreases,
causing the solution time step to be decreased. An arbitrary length of 1.0 km is chosen so that
the surface area and volume will be sufficient to avoid an unduly short retention time.
AQUATOX- Simulation
m.
Step 8: Site Characteristics (More on next page)
Please fill in appropriate data for your stream below:
Site Name [EF Poplar CrTN«3
Site Length or Reach |l J Jon
Surface Area
Mean Depth JO.4
Maximum Depth p.l
Mean Evaporation |40
Latitude
(Neg. in So. Hemisphere)
m
m
ta./year
degrees
Help
Show Progress
Show Summary
The computed velocity, which controls periphyton scour and macrophyte breakage, also
is a function of channel slope, so the model is sensitive to slope. When entering a value try to
represent a typical channel, not a regional slope that, for a small stream, may include rapids and
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
even waterfalls. Release 2 can model varying stream habitats. Rapid bioassessment data can
provide percent distribution of riffle, run, and pool habitats. In the absence of such information,
we will guess at a reasonable distribution for this valley and ridge stream and change it to 40%
riffle and 10% pool.
AQUATOX- Simulation Setup Wizard
Step 8: Site Characteristics, Additional Stream Data
Modeling a stream requires some additional parameters:
Channel Slope 0.004
in /m
Manning's coefficient may be estimated based on stream type or it may be
entered manually. Which would you like to do?
''• Estimate Based on Stream Type:
Stream Type |natural stream
Enter Manning's Coefficient Directly:
Mannings Coefficient II
s ' m
1/3
The bottom surface of streams are composed of "riffles," "runs," and "pools,"
Percent Riffle: (40 I"" Percent Pool: jib]Percent Run: 50
Help
« Back
I
Next
Show Progress
Show Summary
Cancel
t
Finish .
There are several ways to model water volume. If an experimental channel or pond, the
volume may be held constant; computing based on inflow and outflow is also an option, but it
can lead to incremental errors if the hydrodynamics are not well known. In some cases, such as
managed reservoirs, the time-varying volume may be known and can be entered. Generally, for
a stream with known time-varying discharge, it is preferable to use the Manning's equation to
estimate the changing volume. We will change it from Keep Volume Constant to Use Mannings
Equation.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Simulation SeteJgt
Step 9: Water Volume Data
AQUATOX can simulate the water volume in several different ways:
- For a stream, Manning's Equation can be used to calculate the water volume.
- The water volume can be kept constant given an inflow volume.
- The water flow can vary dynamically given an inflow and a discharge.
- The volume can be set to known values given an inflow of water.
Select a method for modeling water volume:
f* [Use Mannings Equation!
<~ Keep Volume Constant ^
<~ Vary Given Inflow and Outflow
f~ Set to Known Values
Help
Show Progress Kr
Show Summary [y
Having chosen to use the Manning's equation, it is necessary to enter dynamic outflow
data. Click on the Import button for the Use Dynamic Outflow entry.
AQUATOX- Simulation Setup Wizard
Step 9: Use Manning's Equation for Volume
Enter the initial condition for the volume of the water body: 7.735E+2 :
You must enter discharge data to use Manning's equation to calculate volume:
''• Use Constant Outflow of
Use Dynamic Outflow
Date
[Loading
nr'/d
About Dynamic Data
Help
Show Progress
Show Summary
We will choose the file type as USGS Flow Data, and pick EFPCDischarge, which was
downloaded earlier from the http://waterdata.usgs.gov/mvis/discharge site. Unfortunately, the
USGS data can now be retrieved in several different formats, so you may have to copy and
convert the pertinent data in a spreadsheet program rather than using the automatic conversion
utility in AQUATOX. However, you should try to import it directly first. Click on Import to
load the data and click on Use Dynamic Outflow to activate the dataset.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Import Loadings Data from an iNj^JiMMip
USOS Flow Data
Save uses Daily Streamflow
data (http://water.usgs.gov/)
as a tab separated file
with date format Ym-MM-DD.
Data will be converted from
cu.ft./sec to cu.rn/day
Date
[Loading
1/1/1986 1.8276e05
1/2/1986 8.3184eB4
1/3/1986 7.8291 e04
1/4/1986 7.3398e84
1/5/1986 6.8504e04
File Name:
EFPCdischarge
Directories:
C:l..'Habit at'StudiesiDistrib
Zl
DorParathion.aps^l
DorParathion.xls
EFPC3Const.aps
EFPC3Dly.aps
EFPC3Dly1.aps
EFPC3Dly2.aps
EFPCDisch86-88
& AQUATOX
& Habitat
IS Studies
EFIwplarCr.aps
ESfenPOND.aps
LakeGeorge.aps
Onon Epi2-1.xls
Onon test nitrify.:
J
List Files of Type:
Drives:
USGS Flow Data (*.*)
I Help
V" Import I
X Cancel
In Step 10 we have chosen to enter an average annual temperature and a range for a
typical year. In order to maintain maximum flexibility, the model has separate fields for
epilimnetic and hypolimnetic temperatures. Of course, these seldom apply to streams, so enter
the same values in the corresponding fields.
AQUATOX- Simulation Setup Wizard
Step 10: Use Annual Mean and Range for Temperature
To use Annual Means to calculate Temperature, you must enter data about the
mean temperature and the temperature range in the water.
These data must be entered for the epilimnion and the hypolimnion if stratification is
to occur. If no stratification is desired, enter the same data for the hypolimiiion as
you do for the epiliimiion.
Average Temperature 18.7
Temperature Range |"
Avg. Hypolimnion Temp. 18.7
Hypolimnion Temp. Range 22
deg. C
deg. C
deg. C
deg. C
Help
Show Summary
In Step 11 we can specify a constant wind, a time series of observed wind values, or a
default time series. The model is insensitive to wind when simulating a small stream, although it
can be important for standing water bodies. We have chosen to use a default time series. For
many lakes and reservoirs a mean value of 3 m/s is appropriate, but for a sheltered stream a mean
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
value of 0 represents the damping out of wind effects-note that with a mean of 0 there will still
be wind roughly half the time.
AQUATOX- Simulation
Step 11: Use Default Time-Series to Calculate Wind Loadings:
AQUATOX can simulate natural wind patterns using a 140-day record of wind
readings that were taken in Missouri.
Wind is computed using the first 10 harmonics and there will be a 140-day repeat of
the time-series.
Please enter the mean value for wind which will be used in these calculations:
Mean Value P
m/ s
Help
« Back
Next »
Show Progress
Show Summary
Cancel
Finish
In Step 12 we will use an annual mean and range for light. These can be obtained from
the Internet for any major town in the U.S. The user will have to decide if these are appropriate
for the site being modeled or if they need to be adjusted, especially for shading from riparian
vegetation. The adjustment can be made in the values entered here, or the user can enter a
reduction factor in the light-loading screen.
AQUATOX- Simulation Setup
Step 12: Use Annual Mean and Range for Light Loadings
AQUATOX will calculate the light loading based on the information you provide on
this screen and the date.
Photoperiod can be computed based on Latitude (entered in the site screen) or you
can enter a constant photoperiod:
<• Compute from Latitude
Use Constant Photoperiod of II
Average Light
Annual Light Range
361
361
Ly/d
Ly/d
Help
Show Progress
Show Summary
90
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
The model is not sensitive to pH, so in this simulation we will use a constant pH of 8. In
addition, because it is a small stream and we are lacking data, we will ignore inorganic sediments
in the simulation. We have chosen to simulate PCB 1254, and observed values are entered in
Step 15.
AQUATOX- simulation
Step 15: Mfls
This chemical
initial conditioi
il Condition: Dissolved org. tox 1: [PCB 1254] E
s associated with many components within the simulation. Enter E
is for any components you wish to start with above-zero toxicant. E
PCB 1254 In Water
TlinRietrsed
TlinLdetrsed
Tl in Susp and Diss Detritus
Tl inBuryRDetr
Tl in BuryLDetr
Tl inPeriphyton.Di
Tl in Stigeoclonium,
Total Initial Condition IV
Help I « Back ! S«S""»"l|
! . iajlijiilicijiOiiliiil.
0.0006 ug/L — E
45 ug/kg i
45 ug/kg E
21 ug/kg E
0 Kg/nun E
0 Kg/cujn E
0 ug/kg
0 ug/kg T| E
lass of PCB 1254: 1.33857E-5 kg
Show Progress 1 f
Show Summary \ -.* |. - .
In Step 16, loadings associated with inflow can be reviewed and modified. Observed
values are entered for nutrients, and constant values are used for carbon dioxide, oxygen, and
detritus. For now, we'll leave the loading of the organic chemical as 0. Ammonia has Ignore
ALL Loadings for this State Variable checked. That option is usually used for
experimentation, such as sensitivity analysis, so uncheck it and check Use Constant Loading of
(with a value of 0.4).
AQUATOX- Simulation
Step 16: Inflow Loadings
The below list shows the modeled components of the water directly flowing into the
simulation. You can specif}* constant or dynamic loadings for each of these
components. To do so, select a component from the list and enter the loading below:
Ignore ALL Loadings for this State Variable
(TK:ygc|?"{^'3!M*5w^.! '••
Inflow Loadings in Simulation:
Inflow Tl ICO
Inflow NO3
Inflow PCM
Inflow C02
Inflow Oxygen
Inflow Susp and Diss Den
Inflow Peiiphyton, Di
Inflow Stigeoclonium,
Inflow Fontinatis
Inflow Amphipod
Inflow Mayfly (Baetis
Inflow Gastropod g_ni2
Inflow Shiner
Inflow Stnifprnllpr
About Dynamic Data
i Show Progress
1
!,,m,m,m,m,m,m,m,m,m,m,m,m,m,m,2n,,
;
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Loadings for periphyton and macrophyte groups can be considered as "seeds" to
reestablish the group following scour, emergence, and toxic- and seasonal-induced mortality.
The user is cautioned, though, to use a value of 0.00001 (le-5) or less as a seed for periphyton,
invertebrates, and fish; otherwise, the "loading" will dominate the rates during high-flow
conditions. A value of 0.0001 is often appropriate for macrophytes because AQUATOX
simulates (and most studies measure) above-ground biomass, which can be an order of
magnitude greater than that of other organisms and can be replenished from rhizomes. However,
this doesn't apply to moss, so we'll use a value of 0.00001 for Fontinalis as well.
In this example, there are no organic chemical loadings associated with any of the biota.
Furthermore, there should be no loadings from direct precipitation, point- or nonpoint-sources.
You should check them to make sure; and, if there are, change them to 0. (However, there are
organic chemical loadings associated with detritus.) When you are finished with the review and
modifications using the Wizard, click on Finish to save your modifications.
tQUATOX- Simulation Setup
Sti
1
:p 16: Inflow Loadings
The below list shows the modeled compone
simulation. You can specify constant or dyn
components. To do so, select a component
Inflow Loadings in Simulation:
Inflow T1H20
Inflow- NH4
Inflow N03
Inflow PO4
Inflow- CO2
Inflow Oxygen
Inflow- Susp and Diss Detr
Inflow- Periphyton, Di
Inflow Stigeoclonium,
IirHnur Ii nn*ii»lic ^^^^H
Inflow Amphipod
Inflow Mayfly (Baetis
Inflo^v Gastropod
Inflow Skiiwr ,
Iflflnw SinnpTinllpr — J
nts of the water directly flowing into the j
antic loadings for each of these i
from the list and enter the loading below: i
f* Use Constant Loading of i i
0.0001 J g/sq-m I I
C Use Dynamic Loadings j j
Date (Loading
d [
•*-
i i i
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Simulation
AQUATOX Setup Wizard Complete:
Congratulations! You have successfully set up an AQUATOX
simulation. Press to exit the wizard.
After exiting the wizard, press to execute your
simulation with toxicants. Press ffilf'gmj
Phosphate as P H |
Initial Condition:
[5^2 mg/L
f* Ignore All Loadings
f Use Constant Loading of
| mg/L Fia
(? Use Dynamic Loadings
Date {Loading | ±.
4/15/1992 0.4
6/15/1992 0.2
8/15/1992 0.92
10/15/1992 0.67
~ 12/15/1992 0.22
> 2/15/1993 0.48
+ | - | * ] Import
Multiply loading by P
Loadings from Point Sources |; :
(f Use Const. Loading of JO g/ci |j j
r Use Dynamic Loadings |i
{Date {Loading I j |: •
y i | | |i ]
O/d :
mg/L
Help
Notes: |
I
mm
Fraction of phosphate loadings that is available ||
versus that which is tied up in minerals j
Inflow pi | (fraction) ||
Point Source pi (fraction) j
Direct Precipitation pi (fraction) i
Non-Point Source pj (fraction) i
; O.K. 1
' ,- } - i - | Import ' |! i
Multiply loading by |1 j; •
! N.P.S. | ,/ Q.K. ( X Cancel
93
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Double-clicking on Light, we adjust the multiplicative loading factor to 0.9 to account
for nominal shading by riparian vegetation.
Light
Initial Condition:
|5Ly/d
C*" Compute Photoperiod
from Latitude
f" Use lo 0 hr/d
(• Use Annual Mean and Range Loadings
f~ Use Constant Loading of
[o Ly/d
C Use Dynamic Loadings
Date
Loading
Ly/d
Import
Multiply loading by |n 9
Help
Notes:
4.3 Ecosystem Calibration
Before modeling bioaccumulation, one should ensure that the ecosystem model is
providing reasonable results; calibration may be necessary. (By using old parameter files, we
will ensure that calibration is necessary for purposes of the tutorial.) First, let's save the study,
keeping the name we gave it at the beginning: EForkPoplarCr.aps. Rate files are named after
the study file name, so it is advisable to save the study under the desired name before running a
simulation. To save the rates, click on Setup and Save Biologic Rates. Click on Rate
Specifications to choose which variables to save (you may wish to choose all biota); also, click
on Excel File (*.xls) unless you really want to use Paradox or Quattro.
94
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Study Name: El
Model Run Sta
Perturbed Run!
Control Run!
Data Operations: |
Initial Com!
Chemica E
Site
Jli Setup
Notes
First Day Of Si i
Data Stoij
Relaj
ri
r|
i? I
File Type to Write Rate Data to:
r Paradox File f.db)
Output Setup
J Help
OK
j X£ancel[
Clicking on Control we start the simulation. With this study, a series of warning screens
will appear, cautioning that no LC50 exposure time has been set for the algae; click on OK to
accept a default time of 24 h. (It's a good idea, after the simulation has finished to go to the
toxicity screen and specify LC50 exposure times so the messages won't continue to appear.)
Having chosen Show Integration Info in the Setup screen, we can see what process is
responsible for slowing down the simulation. We also can see when periphyton sloughing is
occurring.
95
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Study Name: E.
Warning: LC50 Exposure Time for Diatomsl: [Periphyton, Diatoms] is set to zero. Replacing zero LC50
Exposure Time with a value of 24 hours.
Model Run Stati
Perturbed Run:
Contl
Data Opera)
Percentage of Maximum Stepstze:
9 asN
ihate as P
m dioxide
m
c. sed. detritus
j sed. detritus
and dissolved detritus
rj refrac. detritus
[I labile detritus
Tis1: [Periphyton, Diatoms]
is1: [Stigeoclonium, peri.]
iphytel: [Fontinalis]
jederl: lAmphipod]
rl: [Mayfly (Bdetis)]
I: [Gastropod g m2]
ageFishl: [Shiner]
tomFishl: [Stoneroller]
Hydrodynamics
First, the predicted volumes and velocities should be checked against known or expected
values. If the values seem to be erroneous then the site characteristics and discharge driving
variables should be examined. In this example, velocities range from 14 to 170 cm/s and
volumes from 1000 to 6500 m3, which are acceptable in the absence of actual site data.
96
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.F POPLAR CREEK TN (CONTROL) 12/18/20032:46:05 PM
6000 0
5000 0
2500 0
2000.0
1500 0
1000.0
,,1
5,
\
\
Us,
VL
w
" "" ' "*** ~"
1
rfr
^NWJ
'KwLJiJ
1
1 u 1
kJLJ
_|
1
+P
vUpsWUJJ
* «*^J-J1|»^~^JULJJ'
Wat
170.0
— Poo
140.0
130.0
110.0
100.0 "
-90.0 5r
80.0
70.0
60.0
50.0
40.0
30.0
erVol (cu.m) I
Velocity (cm/s)
Velocity (cm/s)
1/1992 4/10/1992 7/9/1992 10/7/1992 1/5/1993
Biomass
Examining the predicted plant biomass, the combined periphyton vary between 0.1 and 6
g/m2 and are dominated by periphytic diatoms; these values are reasonable for a shallow-water
stream. The moss Fontinalis fluctuates from an initial condition of 1 to 3 to 0.8 g/m2, which also
is reasonable.
E. F POPLAR CREEK TN (CONTROL) 1 2/23/2003 1 1 :1 2:40 AM
(Epilimnion Segment)
6 0-
5.0-
E 4.0
cr
-S2
0)3.0
2 0
1 0
./
\
u
~r~>
^\
\
\
V
\
s
\\
J
I
I
\l
r3 o Periphyton, Di (g/sq.m)
^^^^H Stigeoclonium, (g/sq.m)
Fontinalis (g/sq.m)
2.0<9.
E
3
•1.0
1/11/1992 4/10/1992 7/9/1992 10/7/1992 1/5/1993
Having saved the rates, we will find the Excel file in the Output directory, and it is
labeled with the study name preceded by "C_" because it is the control run. The rates are saved
as percentages of biomass on each day, and we have chosen to plot them as areagraphs. We can
see that the periphytic diatom rates indicate seven sloughing events, corresponding to the sudden
drop in biomass in the previous plot. The sloughing removes the light limitation on the
Fontinalis (shown by plotting the limitations to photosynthesis) and leads to a rapid increase in
biomass of that group. The decline in Fontinalis in the summer is seen to be caused by the
severe limitation by high temperatures.
97
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Periphytic Diatoms
Biomass
f
r
Pe
Fontinalis Limits to Photosynthesis
When we plot the invertebrates and fish we find that gastropods maintain a biomass of
about 1 g/m2 while the other invertebrates decline rapidly in biomass after the initial conditions.
Stonerollers, which feed on periphyton and Fontinalis, decline to 0.75 g/m2. The adult bass
("Largemouth Ba2") decline to 0.3 g/m2; and shiners decline almost to 0. Clearly, the animal
initial conditions and dynamics should be calibrated, and we can expect that the periphyton
dynamics will be affected. We will set the initial condition for Stonerollers to 0.75 and for adult
bass to 0.3 g/m2.
98
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.FPOPLAR CREEK TN (CONTROL) 12/23/20033:26:06 PM
(Epilimnion Segment)
Amphipod (g/sq.m)
I Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
0.0.
1/10/1992 4/9/1992 7/8/1992 10/6/1992 1/4/1993
E F POPLAR CREEK TN (CONTROL) 1 2/23/2003 3:31 :25 PM
(Epilimnion Segment)
E
jn z-u
^>
0.0
1/1
\
\
\
>
-—^
V^
^\
\
~- — _
\^_
^
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
Largemouth Ba2 (g/sq.m)
0/1992 4/9/1992 7/8/1992 10/6/1992 1/4/1993
Looking at the trophic interactions matrix for adult bass, we see that they have a 0
preference factor for stonerollers. This is incorrect, and should be changed to a value
comparable to that for shiners (0.05). In addition, there are no sunfish in the simulation, so we
will set the preference by bass for gastropods to 0.05 to account for predation pressure on
gastropods. At the same time, we should set the egestion parameter for gastropods to 0.158 and
correct the egestion parameters for shiners and bass to 0.05 (based on literature values).
Furthermore, we will adjust the initial conditions, using the previously noted ending values,
except for shiners.
99
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
1
^
Rdetrsed
L detr sed
R detr part
L detr part
Periphyton, Di
Stigeoclonium,
Fontinalis
Amphipod
Mayfly (Baetis
Gastropod g_m2
Shiner
Stoneroller
Largemouth Bas
Largemouth Ba2
Trophic Interactions of Largemouth Bass, Lg:
Preference (ratio) Egestion (frac.) References:
^^^^^^^|o
0 0
0 0
0 0
0 0
0 0
0 0
0.001 0.158 Johnson and Dropkin, 1995
0.041 0.158 Johnson and Dropkin, 1995
0 0
0.05 0.158 Johnson and Dropkin, 1995
0 0.05 ,
0.039 0.158 Johnson and Dropkin, 1995
0.039 0.158 Johnson and Dropkin, 1995
AOUATOX— Troohic Interactions
i-==a= :—=,--::-,-,--,--:- :---,---- ,
Trophic Interactions of Largemouth Bass, Lg:
R detr sed
L detr sed
R detr part
L detr part
Periphyton, Di
Stigeoclonium,
Fontinalis
Amphipod
Mayfly (Baetis
Gastropod g_m2
Shiner
Stoneroller
Largemouth Bas
Largemouth Ba2
Preference (ratio) Egestion (frac.) References:
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0.001 0.158 Johnson and Dropkin, 1995
0.041 0.158 Johnson and Dropkin, 1995
0.05 0.158
0.05 0.05 Johnson and Dropkin, 1995
0.05 0.05
0.039 0.05 Johnson and Dropkin, 1995
0.039 0.05| J Johnson and Dropkin, 1995
Now we find that the bass are stable at 0.35 g/m2, with a continued decrease in other fish.
Given the increased predation, gastropods decline to 0.75 g/m2. Shiners continue to decline
precipitously, although observed data indicate that they are common. Examining their
preference matrix, we find that there is no preference for periphytic diatoms or labile detritus and
that egestion is set at 0.6. The values are changed as pictured. The other problematic pattern is
that of mayflies, which decline exponentially and do not recover; let's return to them after
calibrating the fish.
100
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.FPOPLAR CREEK TN (CONTROL) 12/23/20034:24:33 PM
(Epilimnion Segment)
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
Largemouth Ba2 (g/sq.m)
1/10/1992
4/9/1992
7/8/1992
10/6/1992
1/4/1993
E. F POPLAR CREEK TN (CONTROL) 12/23/20034:28:48 PM
(Epilimnion Segment)
1.0-
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
1/10/1992
4/9/1992
7/8/1992
10/6/1992
1/4/1993
Rdetrsed
L detr sed
R detr part
L detr part
Periphyton, Di
Stigeoclonium,
Fontinalis
Amphipod
Mayfly (Baetis
Gastropod
Shiner
Stoneroller
Largemouth Bas
Largemouth Ba2
Preference (ratio) Egestion (frac.) References:
0 1
0 0
0 1
0.1 0.8
0.35 0.3 phyto, Hill & Napolitano, 1997, p. 451, C
0.35 ^ 0.3
0 0
0.1 0.158 Leidy & Jenkins 77, Kitchell etal., 1977
0.1 0.158
0 0
0 0
0 0
0 0
0 0
101
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
With the changes, shiners now exhibit a realistic seasonal fluctuation in biomass—in part,
at the expense of the gastropods, which decline to 0.64 g/m2. Grazing by shiners also removes
competition and favors Stigeoclonum for part of the year. Turning our attention to mayflies, we
see from a rate plot that defecation is almost equal to consumption, and drift is a continuous loss
of 4%.
0.8:
0.75
0 55
EO 45
°~ n A
OX oc
0 3
0 2
0 1
1/1
E. F POPLAR CREEK TN (CONTROL) 12/23/20034:59:41 PM
(Epilimnion Segment)
s
s
VI
\
\
\
\
\
-^ ^"\^
EE±I
^••x^
^^~ —
\
\
^
-^
. —
V
\x^
" --v^
^•^
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
0/1992 4/9/1992 7/8/1992 10/6/1992 1/4/1993
E. F POPLAR CREEK TN (CONTROL) 12/23/2003 4:58:33 PM
(Epilimnion Segment)
1.0-
0.0-
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
1/10/1992
4/9/1992
7/8/1992
10/6/1992
1/4/1993
102
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.F POPLAR CREEK TN (CONTROL) 12/23/20035:01:47 PM
(Epilimnion Segment)
Periphyton, Di (g/sq.m)
— Stigeoclonium, (g/sq.m)
— Fontinalis (g/sq.m)
0.0
1/10/1992 4/9/1992 7/8/1992 10/6/1992
1/4/1993
The bass young-of-the year (YOY) should not decline, considering that the adults
are stable. Examining the trophic interaction matrix, we see that they are not parameterized to
feed on mayflies and the egestion factors are too high. We change the YOY preference and
egestion parameters to the values shown in the figure below.
AQUATOX-- Initial Conditions Entry Screen
r—
R detrsed
L detrsed
R detr part
L detr part
Periphyton. Di
Stigeoclonium.
Fontinalis
Ainnhipod
Mayfly (Baetis
Gastropod g_m2
Shiner
Stoncrollcr
Largemouth Bas
Largemouth Ba2
Trophic Interactions of Largemouth Bass, YOY:
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^H
Preference (ratio)
0
D
0.01
0.01
0
0
0
0.19
0.19
0
0
0
0
0
Egestion (frac.)
0
0
1
0.3
0
0
0
0.158
3E3 I
0
0.05
0.05
0.05
0
References:
Leidy 8, Jenkins 77
Leidy & Jenkins 77
Leidy & Jenkins 77, Kitchell et al., 77
YOY
YOY
no cannabalism in YOY
Turning our attention to mayflies, we suspect that, here again, the preference matrix is
responsible for the poor simulation. The preference of mayflies for periphytic diatoms should be
the same as for Stigeoclonum, there should be no preference for refractory detritus, and the
egestion factor for periphyton should be set to 0.3 as in the other consumers.
103
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX- Initial Conditions Entry Screen
^|
R detrsed
L (Jetrsed
R detr pan
L detr part
Periphyton, Di
Stigeoclonium,
Fontinalis
Amphipod
Mayfly (Baetis
Gastropod g tn2
Shiner
Stoneroller
Larcjemouth Bas
Lanjemouth Ba2
Preference (ratio)
o|
0.1 ^
0
0
0.4
0.4
0
0
0
0
0
0
0
0
Trophic Interactions of Mayfly (Baetis):
Eqestion (frac.)
1
O.S
0
0
References:
0.3
0.3
0
0
0
0
0
0
0
0
pref. generally accepted, assim: L&P C
Interestingly, the mayflies still decline to almost to 0. When we plot the rates, we find
that respiration accounts for much of the loss. (The rates have spikes during storm events
because the loading or "seed" is set too high.) Examination of the parameter file reveals that
specific dynamic action (which is a fraction of the consumed food) is set at 0.8, although the
literature value is 0.15. We set it to the proper value and re-run the simulation.
E. FPOPLAR CREEK TN (CONTROL) 12/23/20039:17:40 PM
(Epilimnion Segment)
1.0
0.0
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
1/10/1992
4/9/1992
7/8/1992
10/6/1992
1/4/1993
104
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Mayflies
Emerge 15
Drifts
DNonToxMortS
IT1 PoisonedS
DPredationS
Excretions
D Respiration 5
D Defecations
I Consumptions
DLoadS
35 3 ?5 S
- -
g 5 1 | g |
Mayflies are now an important component in the simulation—perhaps too important.
Furthermore, bass increase significantly, probably because of the increased secondary
productivity through the mayflies.
E.F POPLAR CREEK TN (CONTROL) 12/24/2003 10:47:07 AM
(Epilimnion Segment)
35.0-
-1.0
Amphipod (g/sq.m)
—i— Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
Shiner (g/sq.m)
— Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
-*- Largemouth Ba2 (g/sq.m)
(Q
1
3
0.0-
1/11/1992 4/10/1992 7/9/1992 10/7/1992
1/5/1993
With shiners parameterized to eat mayflies, we would expect mayflies to decline and
shiners to increase, but that is not the case. Examining the mayfly parameter file, we will cut the
maximum consumption rate from 0.5 to 0.25 g/g d, set the minimum prey for feeding to 0.1
g/m2, set respiration rate to 0.05 /d, change the mortality coefficient from 0.01 to 0.05 /d, and
specify that there is a 75% preference for riffles. (These were obtained by calibration at another
site, so we will use them here to speed up the process.) We will ignore the steep decline in the
stonerollers because it may reflect competition from the mayflies. The decline in shiners is
puzzling, but we will wait to address it further.
105
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Plotting the results, we see that mayflies now slowly decline and disappear. On the other
hand, shiners exhibit a stable fluctuation and stonerollers do not decline as much as previously,
indicating that, indeed, competition from mayflies is important. However, we know that
mayflies are important at the site, so we will set the maximum consumption rate for mayflies
back to 0.5 g/g d.
E. F POPLAR CREEK TN (CONTROL) 12/24/200312:14:41 PM
(Epilimnion Segment)
Amphipod (g/sq.m)
- Mayfly (Baetis (g/sq.m)
- Gastropod g_m2 (g/sq.m)
-Shiner (g/sq.m)
- Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
- Largemouth Ba2 (g/sq.m)
0.0
1/11/1992 4/10/1992
7/9/1992
10/7/1992
1/5/1993
With the change in the maximum consumption rate (CMax), mayflies reach a predicted
maximum biomass of 15 g/m , and the shiners reach a slightly lower equilibrium. Obviously,
CMax is a sensitive parameter. We could run sensitivity analysis to suggest an optimal value
that would constrain the mayflies and permit the other grazers to coexist. However, in the
interest of time, we will split the difference in the values, changing CMax for mayflies from 0.5
to 0.45 g/g d. Bass reach an end value of 0.54 g/m2, which seems high. Intrinsic mortality often
is site-specific because of factors that are not simulated adequately, such as fishing pressure. To
hold the bass at approximately the initial condition, we calculate that we need to increase the
mortality rate by 1.6e-3 /d; we will increase the mortality factor by that amount (from 0.0004 to
0.002 /d).
Calculating Rate of Change
To calculate the increased mortality required to offset the increase in biomass of bass, we
observe that the initial biomass is 0.3 g/m2 and the end value is 0.54 365 days later:
,
rate of increase = In
0.
/365 = \.6e-3ld
With the change in maximum consumption in mayflies, the animals now exhibit a
reasonable pattern, except for stonerollers, which decline to 0.13 g/m2. However, stonerollers
are usually not an important component of stream ecosystems, so we will reserve judgment until
obtaining a longer simulation.
106
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.FPOPLAR CREEK TN (CONTROL) 12/24/20032:57:43 PM
(Epilimnion Segment)
Amphipod (g/sq.m)
- Mayfly (Baetis (g/sq.m)
- Gastropod g_m2 (g/sq.m)
-Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
- Largemouth Ba2 (g/sq.m)
7/9/1992 10/7/1992 1/5/1993
A plot of the plants shows that they are still providing a reasonable predicted pattern of
algal succession although the moss is increasing because of increased grazing on periphyton and
removal of light limitation. The problem with Fontinalis is that the biomass will continue to
build from one year to the next. There is predicted mortality during the summer months when
the temperature is too high, but the moss is not being set back to some nominal level. One way
to reset the biomass is to parameterize breakage to occur during the maximum discharge event
each year. Plotting velocity, we see that the maximum riffle velocity is about 176 cm/s, so we
will use 170 as the VelMax value instead of 500 cm/s. This is a site-specific solution, but both
breakage and scour can be expected to vary from one site to another.
E. F POPLAR CREEK TN (CONTROL) 12/24/2003 3:21:54 PM
8 0
7 0
E
^"4 n
15>
3.0-
2.0-
1.0-
> " xJcaiMcni;
/.
\
f
}
^
/N
7
\
V
r^
J
^
e4\
r ^
Periphyton, Di (g/sq.m)
— Fontinalis (g/sq.m)
1/10/1992 4/9/1992 7/8/1992 10/6/1992 1/4/1993
107
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E. F POPLAR CREEK TN (CONTROL) 12/24/2003 3:25:55 PM
170.0
160.0
150.0
140.0
130 0
CO
~£ 120 0
"
110.0
100.0
90 0-
80 0-
70 0-
1/1
| Riffle Velocity (cm/s)|
0/1992 4/9/1992 7/8/1992 10/6/1992 1/4/1993
At this time, we need to run the simulation for a longer period to confirm that there is a
stable, repeating pattern of biomass for the various groups. We will want to run the model for at
least three years to simulate PCB accumulation, so let's use that period for the control as well.
We enter Setup and change the end date to 12/31/1994.
A three-year simulation indicates that we have an issue with transient conditions for both
animals and plants in the first year. That is almost certainly because the initial conditions are
inappropriate. The remedy is to set the initial conditions to the end conditions predicted after
three years. The best way to obtain the end conditions is to click on the Control Simulation tab
in Output, click on Change Variables, and select the biotic state variables. Then you can scroll
to the bottom of the table to see the end values. The quickest way to enter initial conditions is
through the Wizard. Double-click on Step 5 and click on Next until the initial condition screen
for plants appears. Change the values and then click on Next again until you get the initial
condition screen for invertebrates. Repeat the process for fish. Finally, click on Finish to leave
the Wizard and save the changes. As a check, you can click on the Initial Conds. button to
display all the initial conditions.
E. F POPLAR CREEK TN (CONTROL) 12/24/2003 4:06:15 PM
(Epilimnion Segment)
•0.8
•0.75
Amphipod (g/sq.m)
- Mayfly (Baetis (g/sq.m)
- Gastropod g_m2 (g/sq.m)
-Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
- Largemouth Ba2 (g/sq.m)
1/15/1992
1/14/1993
1/14/1994
1/14/1995
108
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E. F POPLAR CREEK TN (CONTROL) 12/24/20034:09:06 PM
5 0
4 0
E
cr o n
D)
I ^
I^Jb^
Periphyton, Di (g/sq.m)
Stigeoclonium, (g/sq.m)
— Fontinalis (g/sq.m)
1 /1 3/1 992 1 /1 2/1 993 1/12/1 994 1 /1 2/1 995
AQUATOX-- Initial Conditions Entry Screen
State Variables' Initial Conditions:
I nit. Cond. Units
Tox1 I. C. Tox1 Units
(j/sq.tn
R detr part
L detr part
BuryRDetr
BuryLDetr
P e ri p hyton, Pi
Stiqeoclonium.
Fontinalis
Amphipod
Mavflv (Baetis
Gastropod a m2
Shiner
Stoneroller
Larqemouth Bas
Large mouth Ba2
: g/sq.m
g/sq.m
g/sq.rn
; g/sq.rn
: g/sq.m
; g/sq.m
g/sq.m
i g/sq.m
g/sq.m
n/sq.m
jfe.m
i deg. C
i m/s
i Ly/d
: pH
n
n
.m
.m
11
n
n
n
n
n
n
n
n
n
45
45
21
21
21
21
0
0
0
0
0
0
0
0
0
0
0
0
uafcg
ugfcg
ugfcg
ugfcg
ugfcg
ugfcg
Kgfcu.m
Kg/cu.m
ugfcg
ug/kg
ug/kg
ug*g
ugikg
ugfcg
ug1
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
E.FPOPLAR CREEK TN (CONTROL) 12/24/20035:18:56 PM
A (Epilimnion Segment)
0.0
1/15/1992
0.36
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
- Gastropod g_m2 (g/sq.m)
-Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
- Largemouth Ba2 (g/sq.m)
1/14/1993
1/14/1994
1/14/1995
5.0
4.0
3.0
2.0
1.0
E. F POPLAR CREEK TN (CONTROL) 1 2/24/2003 5:21:48 PM
(Epilimnion Segment)
0.0
1/13/1992
Periphyton, Di (g/sq.m)
Stigeoclonium, (g/sq.m)
Fontinalis (g/sq.m)
1/12/1993
1/12/1994
1/12/1995
4.4 PCB Calibration
Now we need to run the perturbed simulation to represent the bioaccumulation of PCBs at
Station 3 on East Fork Poplar Creek (EForkPoplarCrS.aps). Unfortunately, we have sparse
data for comparison to the simulations. Based on conversions of data given in Moore et al.
(1999), we expect the concentration of PCBs in periphyton to be about 40 ug/kg (wet).
Unpublished data of SAIC (1998) indicate that the concentrations of PCB 1254 in fish are 66 +/-
36 ug/kg (wet); if those are based on fillets, as Moore et al. (1999) suggest, then those convert to
about 150 +/- 84 ug/kg (wet). The concentrations of PCB 1254 in whole sediments are based on
observed data (SAIC, 1998, unpublished data), but there is no information on what fraction was
organic matter, so the data are not useful. The concentrations in dissolved phase in the water are
below detection limits (1 to 1.3 ug/L). We will use the value of 0.0006 ug/L estimated by Moore
et al. (1999) as a starting point; make sure that value is entered as both an initial condition and as
an inflow loading.
110
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Given the available data, our objective is to calibrate the water concentration of PCB 1254
so that the simulations are consistent with the observed concentrations in biota. If we can obtain
consistent results, then we could decrease the loadings to predict long-term recovery.
Looking at the toxicity records, we find that there are no toxicity values for PCB Aroclor
1254.
./"fe;,ivr?j5;5Kj^i;,:-vj?^S Add a Plant Toxicity Record |
Plant name
^ Greens
Diatoms
Bluegreens
Macrophytes
IECBO photo
(ug/L)JEC50exp.time
0
0
0
0
S Print
(h)|EC50 dislodge
0
0
0
0
(ug/L)
0
0
0
0
EC50 comment
HiliaNapolita.no, 1997,
Hill a Napolitano, 1997,
p. 151
p. 451
K
A quick check of US EPA's ECOTOX database shows that there are EC50 values for
algal mats. We will use an EC50 of 50 ug/L for the two groups of periphytic algal.
Search Results - Microsoft Internet Explorer
File Edit View Favorites Tools Help
0
ECOTOX:Ecotoxicology Database
USEPA/ORD/NHEERL
Mid-Continent Ecology Division
Contact: 7:218-529-5225 F.218-529-5003
E-mail' ecotox 5upport(5)epa qov
It is recommended that users consult the original scientific paper to ensure
an understanding of the context of the data retrieved from the ECOTOX database.
Report Generated1 Wed Dec 24 17:09'56 2003
Aquatic records found 4
Page 1 of
3
NR = Not Reported
Trend Duration Signif Response Site
Scientific name, Common name Endpoint Effect Effect Measurement Media Type Cone (ug/L) Ref#
Exp Typ Level BCF
Effect %
Test Loc: LAB
CAS WChemical: 11097691, Aroclor 1254
EC50 PHY PSYN
Algae
Algae, algal mat
Algae
Algae, algal mat
Algae
Algae, algal mat
flP-LETH MOP MORT
SW
F 10
100
Page 1 of
111
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
In the toxicity screen click on Add a Plant Toxicity Record and enter the two algal
groups as shown below, keeping in mind that you probably added an LC50 exposure time earlier
for the other groups to avoid the repetitive warning message. You have to provide the EC50, an
estimate of the LC50, and the lipid fraction; leave the elimination constants blank: the program
will provide estimates for them.
./•j'v'V^ft
Plant name
Diatoms
Bluegreens
Peri. Diatoms
Peri. Greens
.„$>•; \ Alia a Plant Toxiciry Record Jj
JEC50 photo (ug/L)|EC5Q exp tlms (h)
50 0
0 0
50 10
50, 10
• S Print |
EC50 dislodge (ug/L)|EC50 comment
0 Hill & Napolitano. 1397, p. 151
0
0 ECOTOX
0 ECOTOX
Elim. rate const (1/d)|r3io!rnsfm. rate (l/d)JLC50 (ug/L) JLC50 exp.tir! » j
10.1761 0 0
Z.0953 0 0 j
0 500 1
500 „(
i^ji^r^^^.^w™^ Add a Plant Toxicity Record [ 1 £
EC50 comment Elim. rate cons
1, Print |
t. (l/d)|B otrnslm. rate (1/d)|l_C50 (ug/L)|l_C50 exp. tin
Hill & Napolitano, 1997. p. 451 10.4764 0 0
20953 0 0
ECOTOX 0 500
F ECOTOX 500
ne(h)|l_C50
24 lOtirr
24 lOtirr
10 lOtirr
10 iEEE
comment JLipidFrac -^IM
es EC50 photo 0.002 | |
es EC50 photo 0.01 || j
es EC50 photo 0 002 || 1
^jMJlBBBS J 0.002 , j
Now click on Estimate elimination rate constants .... The rate coefficients will be
estimated using the octanol water partition coefficient and the plant's lipid content, which is why
it is important to completely fill in each record. After saving the toxicity and chemical screens,
double-click on each of the plant state variables, open the parameter screen, and associate the
plant with the appropriate toxicity record. Save the study (as EForkPoplarCrS PCB), so that
your changes will not be lost in the event of a problem—although we have not mentioned it
before, it's a good practice to save the study periodically. (If you are just following along in the
text, a copy of the file is provided in the InstallShield and will be installed on your system.)
Add a Plant Toxicity Record
r||i Print
Plant name
Diatomc,
Bluegreens
Peri. Diatoms
t Pen Greens
EJJ
|EC50 photo (ug/L)|EC50 exp
50
0
50
50
time (h)|EC50 dislodc
0
0
10
10
e (ug/L)JEC50 comment
0 Hill & Napolitano, 1997, p. 151
0
0 ECOTOX
0 ECOTOX
JElim. rate const. (1/d)JE
10.4761
20353
10.4764
10.4761
iotrnsfm. rate (1 /d)|LC50 (ug/L)JLC50 exp. tir ^
0
0
0
L
0
0
500
500 U
JJ
AQUATOX- Edit Plant
Load from Library [ j Save to Library j ()K [ j Print
Plant Stigeoclonium, peri.
Help
Plant Type: (Periphyton
Toxicity Record:
Taxonomic Group: j Greens
Saturating Light
P Half-saturation
N Half-saturation
Inorg. C Half-saturation
Plant Data:
139 Ly/d JAsaeda & Son 2000,Hill 1996,139; G & F
0.0093 mg/L JBorchardt, 1996 (D 0093)
— m^!L Jcollinsawiosinski19fl3,p737
0.054 m
ig/L j" 7p7391 = 0^054
112
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Having run the perturbed simulation, we should first examine the difference graph to see
if there were any predicted toxic effects of PCBs at the concentrations used. In one run there
was less than a 4% difference for any variable, well within the integration differences for the two
simulations. However, another run exhibited a peculiar set of spikes, initiated by the diatoms.
Switching back and forth between the control and perturbed simulations (not shown), it
eventually becomes clear that a minor sloughing event for the diatoms occurred in the control
simulation and not in the perturbed simulation. The fact that it wasn't consistent suggests it
could be just a numerical glitch (although the relative error is set quite low), or it may indicate a
very small toxic effect on photosynthesis that kept the diatom biomass from reaching a threshold
value at which sloughing would occur. The effect is short-lived so we will ignore it.
We then plot the concentrations in the biota, and compare them with the observed data.
An easy way to do this is to set up a spreadsheet as a template with the observed data and a
default graph. Click on the Perturbed Simulation tab for Output, then click on Change
Variables and choose the Tl H2O (ug/L) and ppb output. These will be displayed in tabular
form and can be saved to an Excel file. We'll label the file "1-EFPC3 PCB" so that it will
appear near the top of the list of files in the Output directory. We also prepared a template with
the observed data and labeled it "2-EFPC3 PCB." We then cut and paste the predicted data
from 1-EFPC3 PCB.xls into 2-EFPC3 PCB.xls and inspect the fit between the observed and
predicted concentrations.
E. F POPLAR CREEK TN (Difference) 1/21/2004 2:56:42 PM
300.0
250.0
100.0
50.0
0.0
-50.0-
-100.0-
~>
If1
,
f\, ,
y
'
Stigeoclonium,
— Fontinalis
— Mayfly (Baetis
Gastropod g_m2
— Shiner
— Stone roller
— Large mouth Bas
— Large mouth Ba2
1/15/1992 7/15/1992 1/13/1993 7/14/1993 1/12/1994 7/13/1994 1/11/1995
113
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
AQUATOX-- Select
Available Results Results to Display!
NH4 (mg/L) ^
NO3 (mg/L)
PO4 (mg/L)
CO2 (mg/L)
Oxygen (mg/L)
R detr sed (g/sq.m)
L detr sed (g/sq.m)
R detr diss (mg/L)
L detr diss (mg/L)
R detr part (mg/L)
L detr part (mg/L)
BuryRDetr (Kg/cu.m)
BuryLDetr (Kg/cu.m)
Periphyton, Di (g/sq.m)
Stigeoclonium, (g/sq.m)
Fontinalis (g/sq.m)
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
Gastropod (g/sq.m)
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
Largemouth Ba2 (g/sq.m)
Water Vol (cu.m)
Temp (deg. C)
Wind (m/s)
Light (Ly/d)
PH (pH)
T1R detr sed (ug/L)
T1L detr sed (ug/L)
T1R detr diss (ug/L)
T1L detr diss (ug/L)
T1 R detr part (ug/L)
T1 L detr part (ug/L)
T1 BuryRDetr (Kg/cu.m)
T1 BuryLDetr (Kg/cu.m)
T1 Periphyton, Di (ug/L)
T1 Stigeoclonium, (ug/L)
T1 Fontinalis (ug/L) —
T1 Amphipod (ug/L)
T1 Mayfly (Baetis (ug/L)
T1 Gastropod (ug/L)
T1 Shiner (ug/L)
T1 Stoneroller (ug/L)
T1 Largemouth Bas (ug/L)
T1 Largemouth Ba2 (ug/L)
Secchi d (m)
Chloroph (ug/L)
Inflow H2O (cu.m/d)
Run Velocity (cm/s) •»-
i
_iJ
»!
Jill
ii
_d
d
T1 H2O (ug/L)
T1 1 /2-life (days)
T1 Total tox (ug/L)
T1 Loading (ug/L)
T1 Nondissoc. (frac.)
T1 Largemouth Ba2(ppb)
T1 Largemouth Bas(ppb)
T1 Stoneroller(ppb)
TlShiner(ppb)
T1 Gastropod(ppb)
T1 Mayfly (Baetis(ppb)
TIAmphipod(ppb)
T1 Fontinalis(ppb)
T1 Stigeoclonium, (ppb)
T1 Periphyton, Di(ppb)
T1 BuryLDetr(ppb)
T1 BuryRDetr(ppb)
T1 L detr part(ppb)
T1 R detr part(ppb)
TIL detr diss(ppb)
T1 R detr diss(ppb)
T1 L detr sed(ppb)
T1 R detr sed(ppb)
k
OK
X Cancel
114
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Output Window— EForkPoplarCrS PCB.aps
Exit Output
Load Results from File
Saue These Results
Perturbed Simulation | Control Simulation | Perturbed Graph ] Control Graph | Difference Graph | Uncer < I >
change variabtes | Perturbed Simulation: Results He"- I a P""t I
T1H20(ug/L)T1Rdelrseci(j]pb)T1LclelrsecJ(t3pt])T1Rdelrcliss(ppt])T1Lcletrdiss(ppb)T1Rcietrpart
As seen in the following graph, the results are off by a factor of at least 20.
t>
k
O)
1
§
EFPC PCB
*
:?3?5^:S(5i^c3a5o^rN^?3?5^:S(5i^c3a5o^rN
TIFontmahs(ppb)
TILargemouth Bas(ppb)
TILargemouth Ba2(ppb)
> Obs Fish (ppb, fillets?)
Whole Fish (ppb)
The concentration Of 0.0006 ug/L estimated by Moore et al. (1999) was based on the
assumption of equilibrium between periphyton and the water column using a single observed
BCF for PCBs and Anabaena. This was sufficient for their risk assessment, but AQUATOX is
more sensitive to the dissolved concentrations and, with its nonlinear representation of
bioavailability and fate, can be used to obtain a more robust estimate through calibration.
115
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 4
Therefore, we will increase the concentration in water by a factor of 20 to 0.012. The study will
be saved as "EForkPoplarCrS X20 PCB.aps." The results are closer to what we would expect,
although they are still too low.
EFPC X20 PCB
} n f,
-T1 Stigeoclonium ,(PP&)
TIFontinalis(ppb)
TlStoneroller(ppb)
T1 Largemouth Bas(ppb)
T1 Largemouth Ba2(ppb)
Obs Periphyton (ppb)
Obs Fish (ppb, fillets?)
Whole Fish (ppb)
Next, we will increase the dissolved concentration by a factor of 60 to 0.036 ug/L, and
save the study as "EForkPoplarCrS X60 PCB.aps." The results look good: the observed
periphyton concentration is on the predicted periphyton line, and the observed range of fish
concentrations encompasses both the predicted stoneroller and adult bass concentrations. The
young-of-the-year bass are predicted to bioconcentrate more PCB 1254 because of their small
size and high respiratory rates; however, they are not an important component of the fish
community, probably were not sampled, and were virtually ignored in our ecosystem calibration.
Given the data limitations, this is the best calibration to the PCB data that we can expect.
EFPC X60 PCB
-TIStigeoclonium,
-T1 Fontinalis(ppb)
T1Stoneroller(ppb)
T1 Largemouth Bas(ppb)
T1 Largemouth Ba2(ppb)
Obs Periphyton (ppb)
Obs Fish (ppb, fillets?)
Whole Fish (ppb)
5 5
116
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
5 APPLICATIONS
The following examples are intended as illustrations of potential applications. AQUATOX
has been validated with several data sets from diverse sites and applications; however, like any
complex model, it should be evaluated for the intended use. More detailed reports on model
validation, including analysis of model predictions as compared to observed data, are found in
(U.S. Environmental Protection Agency 2000). No warranty, either expressed or implied, is
made.
5.1 Recovery Following PCB Remediation
With a calibrated model of East Fork Poplar Creek, we can now forecast the consequences
of planned and unplanned modifications to the stream. Two examples are given, this and the one
following. Recently, PCBs were removed from East Fork Poplar Creek. As part of a remedial
investigation, it is prudent to estimate the time to recovery once the contaminants are removed.
That can be done by running the model for a sufficiently long period and noting when pollutants
drop below the level of concern. We will take a concentration of 1 ppb PCB 1254 in bass as our
endpoint.
Let's start with EForkPoplarCrS X60 PCB.aps. We will keep the loadings for the first
two years as a spin-up for the recovery simulation, then drop the loadings of dissolved and
detrital PCBs to 0 on 1/1/1994. In our initial simulation, we set the end date to 12/31/2002;
however, for purposes of the tutorial and if you have a slow computer, you may wish to set the
end date to 12/31/1994. We'll save it as "EForkPoplarCrS PCB recovery.aps."
AQUATOX- Edit Chemical Data
Dissolved org. tox 1: [PCB 1254]
Initial Condition:
E036 ug/L
Gasythase cone.:
Loadings from tnftow:
f* Use Constant Loading of
jfl DJti ug/L Biotransformation
^* Use Dynamic Loadings
Pate [Loading | •*•!
1/1/1992 3.60008-02
12/31/1993 3.6000802
1/1/1994 O.OOOOeOO
12/31/2002 O.OOOOeOO
.». I Import |
ug/L
Multiply loading by |1
Notes: A Probabilistic Risk Assessment of t
|Moore et al.. 1999. ET&C X 60
Loadings from Point Sources
use Const. Loading of JO g / d
Use Dynamic Loadings
g/d
Import j
Multiply loading by Fj
Loadings from Direct Precipitation
<• Use Const. Loading of pj B*ti2 - d
f"" Use Dynamic Loadings
Date Loading
gm? il
nport |
Multiply loading by 1
N.P.S. [3IZZIZI. Load Data ( Edit Underlying Data [
l X Cancel
117
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
At the end of the 4-year simulation, and two years after the "cleanup," the predicted
concentration in bass was 8.5, in stonerollers was 0.03, and in buried refractory detritus was 6.7
ppb. The target value of 1 ppb in bass was predicted to be reached on 6/19/1997, three and a half
years after the PCB loadings were removed. Unfortunately, we don't know what the actual
recovery time was after cleanup. According to the longer simulation, buried detritus still had 4.7
ppb nine years after the simulated cleanup; however, the model was not run with the more
realistic scour and deposition algorithms of the inorganic sediment submodel.
EFPC 2-yr Recovery PCB
-T1 Stigeoclonium,(ppb)
T1 Fontinalis(ppb)
T1 Stoneroller(ppb)
T1 Largemouth Bas(ppb)
T1 Largemouth Ba2(ppb)
Obs Periphyton (ppb)
Obs Fish (ppb, fillets?)
•T1 R detr sed(ppb)
Whole Fish (ppb)
-T1 BuryRDetr(ppb)
EFPC 9-yr Recovery PCB
-T1 Stigeoclonium,(ppb)
T1 Fontinalis(ppb)
T1 Stoneroller(ppb)
T1 Largemouth Bas(ppb)
T1 Largemouth Ba2(ppb)
Obs Periphyton (ppb)
Obs Fish (ppb, fillets?)
•T1 R detr sed(ppb)
Whole Fish (ppb)
•T1 BuryRDetr(ppb)
118
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
5.2 Possible Response to Invasive Snail Species
Another possible impact on the stream ecosystem could come from invasion by the New
Zealand mud snail Potamopyrgus antipodarum. This exotic species has invaded the rivers in
Yellowstone National Park (Hall et al. 2003) and is spreading through the Missouri River
watershed. Based on data presented by (Hall et al. 2003), the species was added to the
AQUATOX animal library.
Let's add the species to the baseline East Fork Poplar Creek study (EForkPoplarCrS.aps)
and rename that file "EForkPoplarCr invasion.aps." Click on Add below the list of state
variables, and then choose Snail and Potamopyrgus. Double-click Snail! to open the initial
condition and loading window. We will set the initial condition to 1 g/m2. Next, double-click
on LgGamefishl, then Trophic Interactions and set the preference and egestion for
Potamopyrgus to the same values as Gastropod so that bass will serve as a predator (we have no
reason to believe that bass, as a surrogate for sunfish, would treat the two types of gastropods
differently). Finally, select Dissolved org. tox 1:[PCB 1254] in the state variable list and click
on Delete. Since we are not interested in bioaccumulation in this application, simulating PCB
fate would only slow down the simulation.
EForkPoplarCr invasion.
| x|
AQUA TOX: Study Information
Version 2.00
Study Name: E. F POPLAR CREEK TN
State and Driving Variables In Study
Model Run Status:
Perturbed Run: 01-2-04 1:05 PM
Control Run: 12-31-03 3:26 PM
Data Operations:
Initial Conds.
Chemical
Site
Setup
Notes
Program Operations:
Perturbed
Control
Output
Export Results
Export Control
Phosphate as P
Carbon dioxide
Oxygen
Refrac. sed. detritus
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac. detritus
Buried labile detritus
Diatoms'): [Periphyton, Diatoms]
Greensi: [Stigeoclonium, peri.]
Macrophytel: [Fontinalis]
SedFeedeM: [Amphipod]
Grazed: [Mayfly (Baetis)]
SnaiH: [Gastropod]
SnailZ: [Potamopyrgus] K
LgForageFishl: [Shiner] ''t
LgBottomFishl: [Stoneroller]
SmGameFishl: [Largemouth Bass, YO
LgGameFishl: [Largemouth Bass, Lg] .
Edit With Wizard
Help
The results are striking. Within two years, Potamopyrgus goes from 1 to 6 g/m2. A 5-
year simulation (EForkPoplarCr Syr invasion.aps) shows that a seasonal maximum of 6 g/m2
is maintained. At the same time, the native gastropod increases slightly in biomass, perhaps
because competition for food is offset by decreased predation pressure due to an alternate food
source for predators. Inspection of the parameter files for these two gastropods shows that the
119
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
consumption rate for Potamopyrgus is three times that of the native gastropod and the egestion
coefficient is half again as great.
6.0
E. F POPLAR CREEK TN (PERTURBED) 1/20/2004
Periphyton, Di (g/sq.m)
Stigeoclonium, (g/sq.m)
Fontinalis (g/sq.m)
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
Largemouth Ba2 (g/sq.m)
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
-»- Gastropod g_m2 (g/sq.m)
—I— Potamopyrgus (g/sq.m)
1/15/1992
1/14/1993
1/14/1994
I-O.O
1/14/1995
E. F POPLAR CREEK TN (PERTURBED) 1/20/2004 12:39:24 PM
|g merit)
Periphyton, Di (g/sq.m)
Stigeoclonium, (g/sq.m)
Fontinalis (g/sq.m)
Amphipod (g/sq.m)
Mayfly (Baetis (g/sq.m)
Gastropod g_m2 (g/sq.m)
—I— Potamopyrgus (g/sq.m)
Shiner (g/sq.m)
Stoneroller (g/sq.m)
Largemouth Bas (g/sq.m)
Largemouth Ba2 (g/sq.m)
.0
1/25/1992 1/24/1993 1/24/1994 1/24/1995 1/24/1996 1/23/1997
The other changes are subtler and are best depicted with the difference graph, which
shows that mayflies and stonerollers also decline. Amphipods increase, probably through
increased production of detritus by Potamopyrgus due to their high defecation rate. Shiners,
which feed on amphipods, increase even more—demonstrating an interesting cascade of
productivity. Surprisingly, the periphytic greens (Stigeoclonum) actually increase, although at
the expense of the diatoms. Fontinalis also increases significantly due to decreased shading by
periphyton. A difference graph shows that periphytic chlorophyll is about 50% less except for
brief periods of accelerated growth of diatoms. Thirty percent more ammonia is predicted during
the growing season with Potamopyrgus. This is quite similar to what was found in the field
study by (Hall et al. 2003). A detailed comparison of plant rates and limitations for the
simulations, with and without Potamopyrgus, shows that diatoms have a higher overall
productivity, which is offset by the higher grazing rates of Potamopyrgus. The higher
120
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
productivity with Potamopyrgus is seen in the limitation plots to be a result of less light
limitation; nutrient limitation is unchanged.
E. F POPLAR CREEK TN (Difference) 1/21/2004 8:51:47 AM
— Periphyton, Di
— Mayfly (Baetis
— Gastropod g_m2
1/15/1992 7/15/1992 1/13/1993 7/14/1993 1/12/1994 7/13/1994 1/11/1995
E.F POPLAR CREEK TN (Difference) 1/21/20049:00:11 AM
(Epilimnion Segment)
1/15/1992 7/15/1992 1/13/1993 7/14/1993 1/12/1994 7/13/1994 1/11/1995
121
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Periphytic Diatoms with Potamopyrgus
• Washout2
DPredation2
• Non Tox Mort2
D Excret2
DRespir2
DPhotosyn2
DLoad2
C\IC\IC\IC\IC\IC\ICOCOCOCOCOCO
O5O5O5O5O5O5O5O5O5O5O5O5
O5O5O5O5O5O5O5O5O5O5O5O5
Periphytic Diatoms without Potamopyrgus
• Washout2
DPredation2
• Non Tox Mort2
D Excret2
DRespir2
D Photosyn2
D Load2
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Periphytic Diatom Limitations with Potamopyrgus
CM CM CM CM
CJ> CJ> CJ> CJ>
CJ> CJ> CJ> CJ>
CM CM CO CO
CJ> CJ> CJ> CJ>
CJ> O5 O5 CJ>
CO CO
O) O)
O> O)
CNi CNi CNi CNi
^ CO LO [^
CO CO
O) O)
O) O)
CM
o5
-Lt_LIM2
-N_LIM2
PO4_LIM2
CO2_LIM2
•Temp_LIM2
Periphytic Diatom Limitations without Potamopyrgus
-Lt_LIM2
-N_LIM2
PO4_LIM2
CO2_LIM2
-Temp_LIM2
123
-------
AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 5
5.3 Nutrient Enrichment
AQUATOX has its roots in what was basically a eutrophication model, and it provides a
reasonable representation of the effects of nutrient enrichment. It can be configured to depict a
complex food web that is both phytoplankton- and detritus-based, with both game fish and
bottom fish—often considered regulatory endpoints. It also reports phytoplankton both as
biomass and as chlorophyll a, which is an important index of water quality. Dissolved oxygen is
another important index that is computed. The Secchi depth, an indicator of clarity, also is
estimated.
For this example, we will use data from Onondaga Lake, New York (Onondaga.aps).
The lake has been described very well in a book edited by Effler (1996). It has received
municipal and industrial wastes for many years, and effluent from the municipal wastewater
treatment plant accounts for nearly 20% of the annual inflow to the lake (Effler et al. 1996). Of
particular concern are the combined sewer overflows (CSOs) that carry storm water and raw
sewage into tributary creeks about 50 times a year. In 1991 there were 45 CSOs discharging into
Onondaga Creek, 19 into Harbor Brook, and 2 into Ley Creek. In a separate report, Park (U.S.
Environmental Protection Agency 2000) described three levels of analyses in validating Version
1.66 with Onondaga Lake data. For purposes of this example, we will use the third-level
implementation with detailed loadings for nutrients, a site-specific mixing depth, and
compartments parameterized for cryptomonads and rotifers.
Discharge data from the four gauged streams in the watershed (Onondaga Creek,
Ninemile Creek, Ley Creek, and Harbor Brook, listed in order of importance) were downloaded
from the U.S. Geological Survey Web site (see Table 1). Discharge from four ungauged streams
was estimated, assuming that they had an aggregate flow rate that was 94% of the discharge of
Ley Creek and Harbor Brook based on data in Effler (1996, p. 102).
124
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Table 9-1. Input Data for Onondaga Lake Simulation
Variable
Inflow
Phosphorus, NFS
METRO
NOX&NH3, NFS
METRO
Org. matter, NFS
METRO
Epilimnion
temperature
Hypolimnion
temperature
Wind
Solar radiation
Initial conditions
Source
www.waterdata.usgs.gov
(note: URLs may change)
Effler 1996, calc. from p. 162
Effler 1996, calc. from p. 159
Effler 1996, p. 162
Effler 1996, calc. from p. 138
Effler 1996, calc. from p. 128
Effler 1996, calc. from p. 138
Effler 1996, calc. from p. 138
Effler 1996, calc. from p. 128
Effler 1996, calc. from p. 138
Effler 1996, p. 207
Effler 1996, p. 247
Effler 1996, p. 248
unpub. data, Lake George,
N.Y.
Effler 1996
Format
daily values for 4 gauged streams;
extrapolated to ungauged streams
mean annual cone., 7 tributaries, 1989-
1990; mult, by respective inflow
mean loads, April-September, 1990
mean annual concentrations for 1989
for 4 tributaries
mean annual loads for 1989
back-calculated from organic-N
mean annual loads for 1989
monthly interpolation from figure
monthly interpolation from figure
mean value est. from figure for 30
years
observed annual mean and range
obs. data and professional judgment
The loadings were then computed using average concentrations for the respective
streams, assuming a constant relationship between concentration and discharge. Different
average phosphate values were used for 1989 and 1990 for Onondaga and Ninemile Creeks,
which varied considerably between the two years due to combined sewer overflows. Also, the
concentration of ammonia in Ninemile Creek, which flows through soda ash waste beds, exhibits
an inverse relationship to flow rate according to Effler (1996, p. 131); therefore, his Equation
3.12 was used to compute the ammonia concentrations:
[T-NH3] = 0.20+ °'73
Flow
where:
[T-NH3]
Flow
concentration of total ammonia (mgN/L),
flow rate (mVs).
125
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
The computations were performed in a spreadsheet by first converting the discharge data
from cfs to m3/d and m3/s then, for the nutrients, multiplying by the given concentrations to
obtain mass per day (g/d) in successive columns. The loadings were imported into AQUATOX
by clicking on Import in the Edit State Variable screen and choosing the appropriate comma-
delimited (csv) or database file.
aononcreeks.xls . i
A ! B C'D E F G ! H ' i J 1 K
2 I tt DAILY MEAN DISCHARGE DATA
3 | tt
_jlj tt Station name : Ninemile Creek At Lakeland Ny
5 i tt Station number: 04240300
6 itt latitude (ddmmss) 430451
7 itt longitude (dddmmss) 0761336
8 jtt state code 36
9 itt county Onondaga
10 itthydrologic unit code 04140201
11 jtt basin name Seneca
12 itt drainage area (square m les) 115
13 i tt contributing drainage area (square miles)
14 | tt gage datum (feet above NGVD) 360.67
15 j tt base discharge (cubic ftfsec)
J6j 8 WATSTORE parameter code 00060
~17~j tt WATSTORE statistic code 00003
18 i tt Discharge is listed in the table in cubic feet per second.
19 j 8
J20IJ 8 Daily mean discharge data were retrieved from the
21 j tt National Water Information System files called ADAPS.
23 | tt Format of table is as follows.
24 i tt Lines starting with the tt character are comment lines describing the data
25 i tt included in this file. The next line is a row of tab-delimited column
26 i tt names that are Date and Discharge. The next line is a row of tab-delimited
27 j tt data type codes &hat describe a 10-character-wide date (10d) and an
28 j tt 8-charader-wide numeric value for discharge (8n). All following lines are
29 j tt rows of tab-delimited data values of date (year. month. day) and discharge.
~30~|tt
31 i 8 NOTE this file was requested from the NWIS-W software package
J2J 8 on Tue Sep 8 17:48:36 1998
33 itt Dates are now in format.
34 itt
35 J8— -Date Range In File— -
36 j 8101011988-12311990 0. 028317 = cfs -> cu mis
37 ! Date Discharge Flags 2446.6 = cfs -> cu rr eqn. p. 131 p. 128 p. 128 p. 159
38 1 10s 8n 2s cu rrVd cu mjs NH3 mg>L NH3 gfd NOx g/d DOM |TP C^
39] 01011989 104 1 254,446 2.944968 0.44788045 113,962 165,390 1,431,261 18,320
40 1 0102(1989 101 1 247,107 2.860017 0.45524324 112,494 160,619 1,389,975 17,792
4l1 0103(1989 104 1 254,446 2.944968 0.44788045 113,962 165,390 1,431,261 18,320
42 1 0104(1989 114 1 278,912 3.228138 0.42613655 118,855 181,293 1,568,882 20,082
43 1 01091989 110 e 269,126 3.11487 0.4343597 116,897 174,932 1,513,834 19,377
44 i 01091389 93 1 227,534 2.633481 0.47719965 108,579 147,897 1,279,878 16,382
45 |0107(1989 87 1 212,854 2.463579 0.49631686 105,643 138,355 1,197,305 15,326
4R niriTOfN nn R ?fiq VK 3 H4R7 n 4343^97 TIR ss? 174 TO 1 m Ri4 w 177
H 4 t M i\Ninemile /OnondagaCr /Harbor /Ley /Others /Total / OnonCreeks hi
L — i
±J
!*"
$»?>
*;{**'
If;
|>;V
^
'Q^
!£
A; '
•v
Given the readily available hydrologic data, both 1989 and 1990 were simulated with
daily loadings. Examination of the loading plots confirms that the streams draining into
Onondaga Lake are indeed "flashy" or subject to fast runoff with distinct peaks; the nutrient and
organic matter loadings vary accordingly, except the ammonia loadings, which vary slightly
from the other loadings due to the inverse flow relationship cited above. The data files and plots
were prepared using Quattro Pro and Excel.
126
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Inflow of Water
r Use Const. Loading of I
Initial Condition:
1.3100E*! cu.m
12/27/1990 1.6734906
12,20/1990 1.7473o06
12/29/1990 2.3659906
12/30/1990 4.7005o06 ^
> 12/31/1990 5.3024906 T]
Use Manning's Equation (streams only)
* Keep Constant at Initial Condition Level
<~' Vary given Inflow and Outflow
r utilize Known Values (below)
Multiply loading by |l
harge of Water
nflow: www.waterdatQ.usgs.gov
nitial Condition from Site Data
7,000,000
6,000,000
? 5,000,000
£ 4,000,000
| 3,000,000
_i
Z 2,000,000
1,000,000
0
01/01/39 09/24/89 00/17/90
05f'4/K 02/CW90 10/26/SO
1
1
1
51
< 1
z
o
,800,000
,600,000
,400,000
,200,000
,000,000
500,000
600,000
400,000
200,000
0
01/01/S9
09/24/89 00/17/90
02/0^/90 1W2S/SO
Onondaga Lake inflow
Onondaga Lake ammonia loadings
127
-------
AQUATOX (RELEASE 2) USER'S MANUAL _ CHAPTER 5
Results from preliminary model runs indicated that some of the model assumptions and
defaults were inappropriate for this application, and therefore needed to be modified. For
instance, the model computes the depth of the well-mixed layer (epilimnion) using a robust
regression equation with the fetch (distance across which the wind can blow) as the independent
variable; this equation is based on a dataset for 167 lakes. In Onondaga Lake the computed
mixing depth of 15 m is twice as deep as observed (Effler, 1996). It appears that salinity from
industrial pollution in the lake is restricting the mixing depth. By back-calculating from the
regression equation, a fetch (Length) of 0.779 km was found to give the observed well mixed
depth (MaxZMix) of 7.75 m:
MaxZMix = Length0336 • 0.569
\og(Length) = - + 0.245
0.336
Length = 779 m
The maximum length was then changed in the Site Characteristics screen.
128
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Load from Library I: Save to Library
OK
Print
Site Name Onondaga Lake
Site Data:
Stream Data
References:
Max Length (or reach)
Qi (only used if copied into
water volume state var.)
Surface Area
Mean Depth
Maximum Depth
Ave. Epilimnetic
Temp.
Epilimnetic Temp.
Range
0.779 km,
1.3100E+08 m3
to force shallow epilimnion (due to salir
Effler and Harriett, 1996, p. 4
1.2000E+07 rn
1.0900E+01
1.9500E+01 rn
13 "C
Owens and Effler, 1996, p. 207
24 °c
[ If system stratifies enter hypolimnion temperature and range here, otherwise enter the
| same temperature and range as for epilimnion to ensure stratification is not triggered
| Ave. Hypolimnetic
| Temp.
| Hypolimnetic I
| Temp. Range I
8
o
". P. 247
Latitude
(Neg. in So. Hemisphere)
Average Light
Annual Light Range
43
deg.
258 Ly/d
Lake George
430 Ly/d
3,2 meq'l... ITffler e! al, 1996 p. 265
Limnocorral Wall Area
(lirnnucorral only)
Mean Evaporation
Extinct. CoeffWater
0 rn2
N.A.
25 in.tyear
0.4 1 'm
Site Notes: Eutropbic lake near Syracuse, NY, described by Effler et al., 1996
A second modification was necessary because the observed spring algal bloom was not
predicted in initial runs. The spring bloom was reported to be due to cryptomonads, a flagellated
algal group that was not in the default data set. Using values from Collins and Wlosinski (1983),
a cryptomonad compartment was parameterized. The present version of AQUATOX can
simulate four algal groups: diatoms, green algae, blue-greens, and "others." Cryptomonads were
129
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
classified as "others." Rotifers are important grazers on cryptomonads, so they were
parameterized based on the literature, especially one paper (Walz 1995).
,,« _ LJ<»» __ LM 1' J. _ |MKKKKKKKKKKKKKK>^«KKK^^
Animal Rotifer, Brachionus
Animal Type:
Taxonomic Type or Guild:
Half Saturation Feeding
Maximum Consumption
Min Prey for Feeding
Temp. Response Slope
Optimum Temperature
Maximum Temperature
Min Adaptation Temp.
Respiration Rate
Specific Dynamic Action
Excretion : Respiration
Gametes : Biomass
Gamete Mortality
Mortality Coefficient
Carrying Capacity
VelMax
Mean lifespan
Initial fraction that is lipid
Mean weight
[Pelagic Invert. •*• j
|Susp Feeder ^•J
Animal
\ 1 mg/L
| 3.4 g/g-d
| 0.6 my/L
| 2
| 25 °C
| 35 °C
j 5 °C
| 0.34 |/d
Help
Toxicity Record: JDaphnia _^J
Trophic Interactions
Data: ^
References:
JWalz. 1995, p. 441
from sev. papers, extrapolated from gro
|Walz. 1995, p. 441
default
JWalz. 1995, p. 443
prof, opinion
cold adapted (see Walz, 1995)
JLeidy & Ploskey, 1980, p. D20
I 0 (unitless) included in above
j 0.17 ratio
| 0.18 ratio
| 0.6 Kd
| 0.1 l/d
| 2.5 mg/L
I
|Walz. 1995, p. 445
prof, judgment
|Walz. 1995, p. 443 (0.25)
JLeCren & Lowe McConnell, 1980, p. 260
| 400 cni/s [Default
Bioaccumulation Data:
I 4 clays
I 0.03 (wetwt.)
| 1-2E-7 g
if ;« oiw*.
jWalz. 1995, p. 442
prof, opinion
|Walz. 1995, p. 441
130
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
R detr sed
I detrsed
R detr part
L detr part
Cyclotella nan
Greens
Blue-greens
Cryptomonad
Tubifex tubife
Daphnia
Rotifer, Brach
White Perch
Catfish
Largemouth Bas
largemouth Ba2
Trophic Interactions of Rotifer, Brachionus:
Preference (ratio) Egestion (frac.) References:
^^^^^^^H°
0 0
0 0
0.4 0.5 Walz. 1995, p. 430 (0.15)
0.05 0.15
0.05 0.15
0 0.15
0.5 0.15 Walz. 1995, p. 438 (0.15)
0 ^ 0
0 0
0 0
0 0
0 0
0 0
0 0
In order to conduct "what if exercises with the model, we will set the control options to
remove point source loadings for nutrients and detritus (click on Setup then Control Setup).
This effectively turns off the contributions of the metropolitan sewage treatment plant. (Another
option would be to turn off the non-point source loadings.) Save the study as "Onondaga no
effluent.aps."
Control Run Options
F7
[7
F
P
F
|-
F
Nutrients: (Ammonia, Mirate, and P/tospfiate)
Zero-Out Initial Conditions r
Omit Inflow Loadings |~
Omit Point Source Loadings f?
Omit Direct Precipitation Loadings F tj
Omit Non-Point Source Loadings r
Set Multiply Loadings Factors to 1.0 r
Detritus:
Zero-Out Initial Conditions r
Omit Inflow Loadings r
Omit Point Source Loadings 17
Omit Direct Precipitation Loadings F
Omit Non-Point Source Loadings f~
Set Multiply Loadings Factors to 1.0 F
f-
F
F
F
JJelpI Jg^OKjl XCancell
Using chlorophyll a as an indication of water quality, and plotting the Exported results
with observed values, we can see the normal predicted responses and those predicted if sewage
effluent were diverted. A cryptomonad bloom in spring of 1990 is not supported by the observed
131
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
data. As expected, diversion is predicted to result in substantially lower chlorophyll and thus
better water quality, especially after the first year.
Lake Onondaga Algae
Lake Onondaga Algae without Waste Water Treatment Plant Effluent
Other water quality parameters related to eutrophication and nutrients are also computed,
such as dissolved oxygen, Secchi depth, nitrate, ammonia, and phosphate. The user could
perform similar analyses with these parameters as was just shown with chlorophyll a. This
would give a more complete picture of the lake's responses to proposed nutrient control
scenarios, and whether water quality standards would be met. For example, the anoxia that
occurs in the hypolimnion is predicted to go away with diversion of effluent. See an earlier
validation document (U.S. Environmental Protection Agency 2000) for a more detailed
discussion of the application to this highly eutrophied lake.
132
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
(JNONDAGA LAKE, NY (PERTURBED) 1/4/2004 11:40:21 AM
(Hypolimnion Segment)
13.0
11/1989
7/12/1989
1/10/1990
7/11/1990
1/9/1991
Chloroph (ug/L)
•Cyclotella nan (mg/L)
• Greens (mg/L)
•Cryptomonad (mg/L)
Blue-greens (mg/L)
Oxygen (mg/L)
ONONDAGA LAKE, NY (CONTROL) 1/4/2004 11:39:32 AM
(Hypolimnion Segment)
11/1989
7/12/1989
1/10/1990
7/11/1990
0
1/9/1991
Chloroph (ug/L)
— Cyclotella nan (mg/L)
— Greens (mg/L)
— Cryptomonad (mg/L)
— Blue-greens (mg/L)
-•-Oxygen (mg/L)
5.4 Pesticides in a Pond Mesocosm
As the only general fate and effects model of potentially toxic chemicals in aquatic
ecosystems, AQUATOX is well suited for risk assessment of organic toxicants. An earlier
133
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
version was used in a comparative risk assessment of twenty-five pesticides. As an example,
let's consider the ecological risk assessment of the pesticide chlorpyrifos in an experimental
pond enclosure. Load the study ChlorMed.aps and click on Chemical. You will see the Edit
State Variable window. First, check to be sure that Gas-phase cone, is set to 0 and that the
initial condition is 6.3 • g/L (we will start the simulation with an initial concentration and no
loadings). Then click on Edit Underlying Data to get the chemical parameters. Click on
Toxicity Data or page down to see the ecotoxicology parameters. Click on Estimate
Elimination Rate Constants to be sure that estimates are up to date. See Volume 2: Technical
Documentation for a discussion of elimination rate constants (K2s). Then save and go back to
main menu to run the perturbed and control simulations. If you wish to evaluate biologic rates,
that should be specified in the Setup screen prior to running the simulations.
Add an Animal Toxtcrty Record I Q Print
Animal name
JLC50 i.ug/li' LCBOa/^
Eiim. rate const (1 /djJBiotrnsfm. rate (1 /dj EC50 growth (ug/L)]Growth exp. (h) EC50 repro (u
> Trout
Bluegill
ess
Catfish
Minnow
Daphnia
Chironomid
Stonefly
Ostracod
Arnpnipod
Other
8.701
2A
3.819
387171
203
0.17
1.116
10
2.055
0.29
96 Regression on Bluegill
36 EPA Duluth'38. p. 121
96 Regression on Bluegill
96 Regression on Bluegill
96 Holcombe etal.. 1982
21 EPA'87, p. 42(Duluth)
21 Regression on Daphnia
96 Mayer SEIIersiedO 982
21 Regression on Daphnia
18 ERA'S?, p. 12(Duluth)
96
1185E-03
6.197E-02
5.061E-03
5.57E-03
E.128E-02
2.307E*00
1.153E*00
3.965E-01
6.82E*00
6.82E*00
1.169E-02
0.71
0.17
1.2139
23
20.3
O.OS
0.5798
1
0.5776
0.011
0
96
36
96
96
96
21
21
96
0.35E
0.085
0622
11
10.15
0.015
02833
0.5
0.2888
0.0055
0
.- .' ; ;. "I.,"-., :•"'.'>;,',"-. ; Add a Plant Toxicity Record
Plantname JEC50 photo (ug/L) EC50 exp time (h;
> Greens 0 96
Diatoms 0 96
Bluegreens 0 96
Macrophytes 0 96
fi Print ]
EC50 dislodge (ug/L) EC50 comment |Ehm rate const (l/d)JBiotrnsfm rate
0 2.1
0 21
0 21
0 0321?
(l/d)JLC50(ug/L)
0 0
0 0
0 0
0 0
LC50 exp. tiri •»- 1
J
H
e elimination rate constants using octarcol water coefficj -
Perform fish regressions
Estimate plant LCBOs using EC50 to LC50 ratio*
Perform invertebrate regressions
Estimate animal EC50s using LC50 to EC50 ratio
Help
Q.K.
The impacts are substantial when the Perturbed simulation is contrasted with the Control
simulation. The difference graph shows the direct and indirect effects of the chlorpyrifos. It is
obvious that a significant fraction of the invertebrates are killed immediately, only to recover
later. Algae benefit immediately from decreased grazing pressure. Some of the effects are
subtler, and interpretation requires additional information. Examination of the plots suggests that
134
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
the study is not well calibrated; for example, there are transient conditions in the Control
simulation, such as the rapid buildup and decline of chironomids and its effect on the sunfish,
that may reflect a poor choice of initial conditions. However, the comparison of Perturbed and
Control results is still valid, and the user is able to isolate the effects of the pesticide because of
the use of the baseline simulation.
CHLORPYRIFOS 6 ug/L (Difference) 1/7/200410:47:51 AM
(Epilimnion Segment)
CHLORPYRIFOS 6 ug/L (PERTURBED) 1/7/2004 1 0:50:02 AM
(Epilimnion Segment)
h5.0
•4.0
•3.0
o Periphyton, Di (g/sq.m)
-*- Stigeoclonium, (g/sq.m)
-*- Green Sunfish2 (g/sq.m)
-•-Chironomid (g/sq.m)
o Green Sunfish, (g/sq.m)
A Shiner (g/sq.m)
-»- Diatoms (mg/L)
a Blue-greens (mg/L)
o Daphnia (mg/L)
•2.0
•1.0
-0.0
6/23/1986
7/23/1986
8/22/1986
9/21/1986
135
-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
CHLORPYRIFOS 6 ug/L (CONTROL) 1/7/2004 10:47:51 AM
(Epilimnion Segment)
o Periphyton, Di (g/sq.m)
& Stigeoclonium, (g/sq.m)
-»- Green Sunfish2 (g/sq.m)
-•-Chironomid (g/sq.m)
o Green Sunfish, (g/sq.m)
A Shiner (g/sq.m)
-*- Diatoms (mg/L)
n Blue-greens (mg/L)
o Daphnia (mg/L)
8/22/1986
I-O.O
9/21/1986
The rates were saved by choosing Setup from the main screen, Save Biologic Rates, and
then Rate Specifications. The state variables and file type were chosen in the following screen.
The plots were produced using Excel, but any spreadsheet or graphing program could be used.
Specify Rate Information
File Type to Write Kate Data to:
r Paradox File (*.db) • Excel File (*.xls)
Available State Variables: Track Rates for these Vars:
R detr part ,*J
L detr part ,
BuryRDelr JjJ
BuryLDetr ~~L\J
ItliSEililHHHHHi »l
Temp
Wind
Light
PH
TIRdetrsed
T1L detr sed
TIRdetrdiss
T1L detr diss
T1R detr part
1
I
I
•
«|
T1L detr part
TIBuryRDetr
T1 BuryLDetr i
Tiniatnmcf ^ •
T1H20
T1SedFeeder1
T1SuspFeeder1
T1SmForageFish2
T1LgForageFish1
TILgForageFishZ
LgForageFish2
LgForageFishl
SmForageFish2
SuspFeederl
SedFeedeM
Macrophytel
Bl-green1
Greens 1
Diatoms2
Diatoms 1
Write Rates:
(? When Writing
Results
r Each Attempted
Step
• Write All Rates
Associated with
Each State Var.
r Write Errors Only
With chlorpyrifos, the sunfish immediately suffer loss of food base; there is a slight
increase in defecation that is paralleled by decreased consumption in the simulation, indicating
initial chronic toxicity; but, more important, there is acute toxicity as the fish bioaccumulate
more chlorpyrifos. Examination of the chemical record shows that sunfish (bluegill) have a
laboratory LC50 of 2.4 • g/L As the bluegill begin to recover, they are still affected by chronic
and acute toxicity. In particular, compare the percent defecation in the perturbed graph with the
percent in the control graph that follows.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Sunfish with Chlorpyrifos
DGameteLoss11
• NonToxMort11
•T1 Poisoned11
• Predation11
DExcretion11
DRespiration11
• Defecation11
DConsumption11
Sunfish without Chlorpyrifos
Daphnia exhibit a similar response with almost complete and immediate mortality. Their
LC50 is very low (0.17); however, there is not complete mortality, so they rebound with
decreased predation pressure.
137
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Daphnia with Chlorpyrifos
DGameteLossS
iNonTox MortS
IT1 PoisonedS
iPredationS
D Excretions
D Respiration 8
Defecations
D Consumptions
The shiners suffer a short-lived loss of food base and low-level chronic effects, but
there is no acute toxicity (the minnow LC50 is 203 ug/L), and they increase in the absence
of predation pressure.
Shiners with Chlorpyrifos
DGameteLosslO
• Non Tox MortIO
•T1 PoisonedIO
• PredationIO
DExcretionlO
D Respiration! 0
• DefecationIO
D Con sumption 10
Chlorpyrifos is a bioaccumulative chemical. A plot of bioaccumulation factors indicates
that there is biomagnification up the food chain, from Daphnia to sunfish, and that steady state
has not been achieved for the fish in the three-month simulation.
138
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
..
CHLORPYRIFOS 6 ug/L (PERTURBED) 1/7/2004 10:47:50 AM
(Epilimnion Segment)
o BAFT1 Diatoms
-*- BAF TIPeriphyton, Di
-T- BAF TIStigeoclonium,
-•- BAF TIBIue-greens
o BAF TIChara
A BAF TIChironomid
-*-BAFT1Daphnia
-•- BAF TIGreen Sunfish,
o BAFTIShiner
-*- BAF TIGreen Sunfish2
6/22/1986
7/22/1986
8/21/1986
9/20/1986
5.5 Multiple Stressors Due To Agricultural Runoff
In our example, we will model a run-of-the-river reservoir receiving extensive
agricultural runoff and minimal municipal and industrial effluents (Park, 1999a). In the 1970s
approximately 90% of the watershed of Coralville Lake, Iowa, was in agricultural land
(MacDonald and MacDonald, 1976). Water quality was so poor that the lake was referred to
locally as the "Dead Sea." We will use the reservoir study Coralville.ops as a starting point.
Open the file, then click on File and Save As, and name it AgricRes.aps so we don't write over
the default reservoir study by mistake. Also, change the Study Name to "CORALVILLE LAKE,
IA" (this will be the heading for the graphs).
Controlling Nutrients and Sediments
Because this reservoir receives a large quantity of suspended sediments, we need to load
observed total suspended solids (TSS). Clay, silt, and sand are only available if the site is a
stream. Suspended algae and detritus are subtracted from the observed TSS and the difference is
considered suspended inorganic sediments. These are used in calculating the extinction
coefficient and the Secchi depth.
Click on Add at the bottom of the state variable list and choose Tot. Susp. Solids. In the
main screen we then see this as an additional state variable.
139
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
insert state m^
Select State Variable to Insert:
Dissolved org. tox 20 -»• j
Sand
Silt
Clay
Tot Susn. Solids ^^B
Diatoms2 [S
Greens2
Bl-green2
OtherAlg2
Macrophy1e2
ShreddeM
Shredder2
Help |
J
:d
«/ OK | JC Cancel
li AgricRes.aps- Main Window |
(modified)
AQUATOX: Study I
Version 2.00
Study Name: JCORALVILLE LAKE, IA
nfon
i J
Model Run Status: |
Perturbed Run: 01-7-04 5:03 PM
Control Run: 01-7-04 4:20 flIW
Data Operations: Program Operations: j
I n I
g||Q Initial Conds.
cv2
'^5 Chemical
qjBf Site
5Sl Setup
Gn Notes
pjp Perturbed
1 Control
i/s/ Output
Ij^ Export Results
[j^ Export Control
J^ Edit With Wizard 0 Help
77af/o/7
State and Driving Variables In Study
Dissolved org. tox 1: [Dieldrin] -•.
Ammonia as N
Nitrate as N
Phosphate as P
Carbon dioxide
Oxygen
lot. Susn. Solids k ^HH
Refrac. sed. detritus H
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac. detritus
Buried labile detritus
Diatoms'!: [Cyclotella nana]
Greens'! : [Greens]
Bl-green1: [Anabaena]
OtherAlgt: [Dinoflagellate]
Macrophytel: [Myriophyllum]
SedFeederl: [Chironomid]
SedFeeder2: [Tubifex tubifex]
SuspFeedeM: [Daphnia]
SuspFeeder2: [Rotifer, Brachionus]
Predlnvtl: [Chaoborus]
LgForageFishl: [Bluegill]
LgForageFish2: [Shad]
SmBottomFishl: [Buffalofish]
LgBottomFishl: [Buffalofish]
SmGameFisM: [Largemouth Bass, YO
LgGameFishl: [Largemouth Bass, Lg] —
LgGameFish2: [Walleye]
Water Volume
Temperature T|
Add 1 Delete 1 Edit |
Double-click on Tot. Susp. Solids obtain the loadings screen. Then click on Use
Dynamic Valuation and Import to load the file TSSCoral.csv. Change the initial condition of
TSS to 20. Save the file (under the same name, AgricRes.aps).
140
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Import Loadings Data-faQitjill
;;.v«ri«/wfe^::.
Comma Delimited Text
Each line of the text file must
have a unique date entry in the
form M/dfyyyy followed by a
comma and then a loading
entry in the appropriate units.
V;^.|iiiiiQ;gsJi^2S™ii™ui.
Date (Loading A
10/1/1973 20
10/15/1973 47
10/19/1973 21
11/12/1973 32
11/26/1973 24 "7
:ile Name:
TSSCoral.csv c
13 CoralvilPool.csv
3uE5sKHlSMNMI
l^_
Jst Files of Type:
Comma Delim. Text C.csv) "*
lirectories:
:i...iStudiesiDistrib1
& C:\
& AQUATOX
& Habitat
& Studies
•PliBfflinBBBBBBI
Drives:
] Be: U jj
Help
Import I X Cancel
Click on Initial Conditions to see the initial values for all the state variables. Dieldrin is
0 because we will let the model compute the concentration in the reservoir.
141
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
State Variables' Initial Conditions
0 ugfcg
0 ugfcg
0 ug/kg
0 ugiKg
0 ugikg
0 iiuV.o
0 Kg/cu.m
0 Kg/cu.m
0 ugfcg
0 ugikg
0 ugfcg
0 uglkg
0
0 ugtog
0 ug/kg
0 ugftg
0 ugtog
0 ugftg
0 ug/kg
0
0 uyftg
0 nil V.n
0 tl(i Vo
0 ugikg
0
Click on Setup and make sure that the simulation dates correspond to, or are less than,
the range of dates for TSS, 10/1/1973 to 9/30/1978. Be careful, if you enter "10/1/73" it will be
interpreted as "10/01/2073." Because observed TSS values are being used in lieu of dynamically
simulated inorganic sediments, the capability of the model to repeat a time-series loading should
not be used for TSS unless all other loadings, particularly inflow, are restricted to the same
range. Otherwise, the model will extrapolate the TSS beyond the observed dates and obtain
unacceptable estimates of suspended sediments. Note that the 5-year simulation may be quite
lengthy on a slow machine; you may wish to decrease the period.
First, we will investigate the impact of nutrient reduction, most likely through best
management practices, without any change in loadings of dieldrin or inorganic sediments. Click
on Control Setup and uncheck all the Organic Toxicant controls, and check Set Multiply
Loadings Factors to 1.0 for Nutrients and Detritus. Then, going back to the main screen,
double-click on ammonia, nitrate, phosphate, and suspended and dissolved detritus and enter a
multiplicative loading of 0.5 on the Edit State Variable Data screen for each. In doing so, we
have set the model so that nutrients and detritus will be halved in the perturbed run and kept
unchanged for the control run. Dieldrin will be present in both simulations. This demonstrates
142
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
the power of the control settings to set up various pollution control scenarios. Save as
"AgricRes less nutr detr.aps."
Zero Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Omit Toxicant in Organisms
Omit Buried Toxicants
Set Multiply Loadings Factors to 1.0
All Organic Toxicants:
Zero Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
'Set Multiple-Loadings Factors to 1.0!
Nutrients: (Ammonia, fJittate, and Phosphate)
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiply Loadings Factors to 1.0
Sand /Sift/ Clay:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiply Loadings Factors to 1.0
Run the simulation without any additional changes, clicking on Perturbed and Control.
Select Output, and view the Control graph. Note that detritivorous invertebrates, especially
Tubifex, have a high biomass, reflecting the large influx of detritus from upstream. Algal blooms
occur periodically, with maximum biomass of about 35 mg/L.
CORALVILLELAKE, lA(CONTROL) 1/7/20044:23:14 PM
(Epilimnion Segment)
•34.0
•32.0
30.0
Bluegill (g/sq.m)
-Shad (g/sq.m)
- Buffalofish22 (g/sq.m)
-Tubifex tubife (g/sq.m)
Largemouth Ba2 (g/sq.m)
Walleye (g/sq.m)
Chironomid (g/sq.m)
-Cyclotella nan (mg/L)
Greens (mg/L)
- Anabaena (mg/L)
Dinoflagellate (mg/L)
10/14/1977
If we plot Secchi depth, we see that it varies considerably. By tabulating and exporting to
Excel (click on the Control Simulation tab in Output, display Secchi d, then Save Table to
143
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Excel) we can obtain statistics. In the simulation, Secchi depth has a maximum of 1.5, minimum
of 0.08, and mean of 0.32 m.
CORALVILLE LAKE, IA (CONTROL) 1/7/2004 5:31:36 PM
(Epilimnion Segment)
1.0
10/14/1974 4/14/1975 10/13/1975 4/12/1976 10/11/1976 4/11/1977 10/10/1977
Now view the Perturbed graph. There is an overall similarity with the Control graph,
but several algal blooms are do not occur. Furthermore, there is a decline in detritivore biomass.
CORALVILLE LAKE, IA (PERTURBED) 1/7/2004 5:30:40 PM
(Epilimnion Segment)
-34.0
,32.0
Bluegill (g/sq.m)
Shad (g/sq.m)
Buffalofish22 (g/sq.m)
Tubifex tubife (g/sq.m)
Largemouth Ba2 (g/sq.m)
Walleye (g/sq.m)
Chironomid (g/sq.m)
Cyclotella nan (mg/L)
Greens (mg/L)
Anabaena (mg/L)
Dlnoflagellate (mg/L)
Daphnla (mg/L)
Rotifer, Brach (mg/L)
10/15/1974
10/15/1975
10/14/1976
10/14/1977
A better way to portray the changes is by plotting a Difference graph. Because we have
set the nutrient and organic loadings in the perturbed simulation to half the normal values, a
positive percent difference means an increase in biomass with decreasing nutrient and organic
loadings. (Remember that the Difference graph plots the percent difference of Perturbed minus
Control.) We also will plot bottom fish (buffalofish), which were so abundant in Coralville
Reservoir that they supported a commercial fishery in the early 1970s. Based on this graph and
examination of predicted rates for the invertebrates and fish, which were saved and plotted in
Excel (not shown), we observe that invertebrate detritivores (Tubifex) declined due to decreased
detritus loadings; this caused a decline in buffalofish. The blue-green Anabaena, another
indicator of poor water quality, also declined. Caution should be exercised in interpreting
difference graphs; these are plotted as percent changes, and small absolute differences are
144
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
magnified. For example, due to the toxicity of dieldrin, bass exhibit very low biomass values
(<0.1 g/m2), even in the control. This can be seen by plotting just the fish in the control
simulation.
400.0
LJJ
O
z
LU
QL
LJJ
-100.0
CORALVILLE LAKE, IA (Difference) 1/7/2004 5:30:40 PM
(Epilimnion Segment)
975 '10/14/1975 4/13/1976 10/12/1976 4/12/1977 TO
— Cyclotella nan
Greens
-•-Anabaena
— Dinoflagellate
— Myriophyllum
Chironomid
-SR-Tubifex tubife
— Daphnia
— Rotifer, Brach
Chaoborus
— Bluegill
Shad
— Buffalofish
-l-Buffalofish22
— Largemouth Bas
Largemouth Ba2
Walleye
10/15/1974 4/15/1
1/11/1977
CORALVILLE LAKE, IA (CONTROL) 1/7/20045:58:10 PM
28 0
26 0
94 n
20 0
180-
E1 R n
o~
^120
100-
6 0-
4 0-
2.0-i
10/12
~---v- -S*'
/-^
X
/
— - I-/
/1974 10/13/1975 10/12
A
A
/
/
/
/
r
/1976 10/12
Bluegill (g/sq.m)
Shad (g/sq.m)
Buffalofish (g/sq.m)
Buffalofish22 (g/sq.m)
— Largemouth Bas (g/sq.m)
Walleye (g/sq.m)
/1977
If we plot the difference graph for the key environmental indicators, oxygen, Secchi
depth, and chlorophyll, we see that halving the nutrient and detrital loadings improves the water
quality as indicated by decreased chlorophyll levels and increased Secchi depths during times of
algal blooms. Because the reservoir is shallow and seldom stratified, oxygen levels are not good
indicators of water quality in this system; actually, supersaturation of oxygen is predicted during
blooms.
145
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
CORALVILLELAKE, IA (Difference) 1/7/2004 6:04:07 PM
(Epilimnion Segment)
100.0
-100.0-
10/14/1974 4/14/1975 10/13/1975 4/12/1976 10/11/1976 4/11/1977 10/10/1977
We have seen the effects of halving the nutrient and detritus loadings; let us now
investigate the effects of suspended sediments. In this run-of-the-river reservoir, most of the
suspended solids are silt and clay, and most are from upstream. In the event that best
management practices (BMPs) were to halve the TSS as well as the other pollutants, what would
be the impacts on the Coralville ecosystem? This is easily analyzed with AQUATOX. In the
main window, double-click on Tot. Susp. Solids and set the Multiply loading to 0.5. Save the
modified study as "AgricRes less nutr detr TSS.aps." Then click Perturbed (but do not run
Control) to obtain a simulation in which all the loadings are halved.
Click Output and plot Secchi depth, chlorophyll a, and oxygen in the Difference graph.
By decreasing TSS, and hence inorganic sediments, turbidity decreases, and Secchi depth
increases considerably. Baseline chlorophyll a increases marginally; blooms appear to be
short-lived, followed by even greater declines in chlorophyll. Phytoplankton are not as severely
light limited in the simulation. In turn, during blooms phosphate is quickly depleted—almost
certainly becoming limiting for the phytoplankton.
CORALVILLE LAKE, IA (Difference) 1 /7/2004 9:08:02 PM
(Epilimnion Segment)
146
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
The perturbed graph demonstrates the changes in biomass; Tubifex reaches a maximum
of 14 g/m2, and Anabaena reaches a maximum of 17 g/m2. Compare those with values of 34 and
70 g/m2 in the control.
CORALVILLELAKE, IA (PERTURBED) 1/7/2004 9:07:37 PM
(Epilimnion Segrtient)
10/15/1974
10/15/1975
10/14/1976
10/14/1977
Bluegill (g/sq.m)
-Shad (g/sq.m)
- Buffalofish22 (g/sq.m)
-Tubifex tubife (g/sq.m)
Largemouth Ba2 (g/sq.m)
Walleye (g/sq.m)
-Chironomid (g/sq.m)
-Cyclotella nan (mg/L)
Greens (mg/L)
-Anabaena (mg/L)
Dlnoflagellate (mg/L)
- Daphnla (mg/L)
- Rotifer, Brach (mg/L)
Controlling Pesticides
Next, we will examine the effects of the dieldrin independent of the nutrients, detritus, and
TSS. Similar to the example of esfenvalerate in the pond, we will use the perturbed run to
simulate the toxicant and the control run without the toxicant. Therefore, open AgricRes.aps,
open the Setup window, and choose Control Setup. Now set the remaining options back to
their original state, with all the Organic Toxicant choices checked, and the Nutrient and
Detritus choices unchecked.
147
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
Control Run Options
All Organic Toxicants:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Omit Toxicant in Organisms
Omit Buried Toxicants
Sct'Miitiply-Loia()inysHactors'to''i!0!
Nutrients: (Ammonia, Nitrate, ana Phosphate)
Zero-Out Initial Conditions |~
Omit Inflow Loadings |~
Omit Point Source Loadings |~
Omit Direct Precipitation Loadings |~
Omit Non-Point Source Loadings |~
Set Multiply Loadings Factors to 1.0
^ ^^m
Sand /Sift/ Clay:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiply Loadings Factors to 1.0
Detritus:
Zero-Out Initial Conditions
Omit Inflow Loadings
Omit Point Source Loadings
Omit Direct Precipitation Loadings
Omit Non-Point Source Loadings
Set Multiply Loadings Factors to 1.0
Help
L/ OK X Cancel
Click Perturbed and Control to run the simulations. The perturbed graph is the
equivalent of the control graph seen earlier with the effects of dieldrin on selected state variables.
The control graph shows the seasonal patterns in biomass in this highly productive reservoir
without dieldrin. Note that forage fish (shad) reach a maximum of 42 g/m2, and bass slowly
increase to a maximum of 7.8 g/m2, while buffalofish gradually decline.
CORALVILLE LAKE, IA (CONTROL) 1/7/200410:34:11 PM
(Epilimnion Segment)
18.0 3
16.0'S.
Bluegill (g/sq.m)
—i— Shad (g/sq.m)
Buffalofish22 (g/sq.m)
Tubifex tubife (g/sq.m)
-*- Largemouth Ba2 (g/sq.m)
Walleye (g/sq.m)
Chironomid (g/sq.m)
Cyclotella nan (mg/L)
Greens (mg/L)
Anabaena (mg/L)
Dinoflagellate (mg/L)
10/15/1975
10/14/1976
•0.0
10/14/1977
The differences between the perturbed and control graphs are emphasized in the
difference graph. Negative values indicate relatively low biomass values in the perturbed
simulation (in other words, in the presence of dieldrin). The decline of all fish except the hardy
buffalofish is easily seen; first shad, then YOY bass, walleye, and adult bass decline in that
order. The tolerant chironomids and tubificids benefit from the decreased predation and exhibit
positive values.
148
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
CORALVILLE LAKE, IA (Difference) 1/7/200410:3411 PM
(Epilimnion Segment)
— Cyclotella nan
Greens
-•-Anabaena
— Dinoflagellate
— Myriophyllum
— Chironomid
Tubifex tubife
— Daphnia
— Rotifer, Brach
Chaoborus
— Bluegill
Shad
-HBuffalofish
— Buffalofish22
— Large mouth Bas
Large mouth Ba2
Walleye
10/15/1974 4/15/1975 10/14/1975 4/13/1976 10/12/1976 4/12/1977 10/11/1977
From these results, we postulate that the decline in fish is a combination of direct and
indirect effects of dieldrin. We can examine the rates for largemouth bass by clicking on Setup
in the main screen and Save Biologic Rates and Rate Specifications, then choosing Lg g fish
prior to running the model. The rates will be saved, with Excel format as the default, in the
Output subdirectory. The rates then can be plotted. In this example, consumption is very low
due to chronic toxicity and loss of forage base. Acute toxicity does not seem to be a factor; the
LC50 for bass is 3.5 ug/L, and the maximum concentration of dieldrin in the dissolved phase is
0.016 ug/L during the period of the simulation. Defecation increases due to the modeled effect
of chronic toxicity on assimilation. This illustrates the use of biologic rates for analyzing cause
and effect relationships.
Bass with Dieldrin
DGameteLoss16
NonTox Mort16
T1 Poisoned16
Predation16
DExcretion16
DRespiration16
Defecation16
DConsumption16
149
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
CORALVILLE LAKE, IA (PERTURBED) 1/7/2004 11:00:12 PM
ri rnr n" ' I TI uin i,,,,n \
1 40E 02
1 20E 02
3 7 OOE 03
5 OOE 03
2 OOE 03
-6 94E-18-:
" ^~\
/^VA \
/ \lrt
/ \t\\
f l/\
5
/ \
/ 1
/
s
£
\
I
\
s
A/
V
A
/\
/ A
/ S (1
/
T7T
^\ V
X
I
\
•0.8
n 7K | — Largemouth Ba2 (g/sq.m)
•0.7
0.65
•0 6
0.539.
en
0.5 I
-0.4
0.35
0.25
10/16/1974 10/16/1975 10/15/1976 10/15/1977
Controlling All Pollutants
Finally, we can examine the effects of decreasing all pollutants from agricultural runoff
simultaneously in the perturbed simulation. Dieldrin was set to a minimal value (loading
multiplier of 0.001), and the nutrient, organic matter, and TSS multiplicative loading factors
were set to one-half. As we have seen from the above applications, there are many complex
interactions, and comparing the perturbed and control graphs is difficult.
CORALVILLE LAKE, IA (PERTURBED) 1/8/20047:43:01 AM
(Epilimnion Segment)
22.0
20.0
18.0
16.0
14.0
12.0 3
-10.0
Bluegill (g/sq.m)
-Shad (g/sq.m)
- Buffalofish22 (g/sq.m)
-Tubifex tubife (g/sq.m)
Largemouth Ba2 (g/sq.m)
Walleye (g/sq.m)
-Chironomid (g/sq.m)
-Cyclotella nan (mg/L)
Greens (mg/L)
-Anabaena (mg/L)
Dlnoflagellate (mg/L)
-Daphnla (mg/L)
-Rotifer, Brach (mg/L)
10/14/1976
JO.O
10/14/1977
However, the difference graph provides a direct comparison. Bluegill (diamonds) and
bass (heavy light-green line) increase significantly in the absence of dieldrin. Tubificids (heavy
orange line) and chironomids decline due to increased predation pressure. The buffalofish
(heavy dark-green line) exhibit a long-term decline due to loss of forage because of increased
competition.
150
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 5
CORALVILLE l.AKf, IA (Difference) 1/8(20
— Cyclotella nan
Greens
—Anabaena
— Dinoflagellate
— Myriophyllum
Chironomid
Tubifex tubife
— Daphnia
— Rotifer, Brach
Chaoborus
-«-Bluegill
Shad
-HBuffalofish
— Buffalofish22
— Large mouth Bas
-*-Large mouth Ba2
Walleye
-100.0
10/15/1974 4/15/1975 10/14/1975 4/13/1976 10/12/1976 4/12/1977 10/11/1977
To better determine the effects of decreasing all pollutants on water quality, we will again
plot several environmental indices in a difference graph. We see that chlorophyll a is generally
lower, oxygen does not supersaturate during blooms, and Secchi depth is improved.
CORALVILLE LAKE, IA (Difference) 1/8/2004 7:56:57 AM
(Epilimnion Segment)
-100.0
10/14/1974 4/14/1975 10/13/1975 4/12/1976 10/11/1976 4/11/1977 10/10/1977
We could have performed a full factorial analysis to isolate the effects of individual
pollutants. For example, we could have decreased phosphate loadings while holding all other
pollutant loadings at the observed levels. However, that is beyond the scope of this tutorial.
In conclusion, AQUATOX can be used to analyze complex relationships in impaired
ecosystems and to suggest the relative importance of various causes of impairment. In this
example, dieldrin was shown to be a very important stressor, completely changing the fish
community, even at sub-acute concentrations. The simulations suggest that external loadings of
nutrients and organic matter are also important; and, based on the model, halving the loadings
could improve water quality significantly. Therefore, this ecosystem model has the potential not
only to help identify stressors, but to assess possible environmental management scenarios as
well.
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 6
6 UNCERTAINTY ANALYSIS
Until now we have dealt with deterministic simulations. However, there are numerous
sources of uncertainty and variability in natural and polluted aquatic systems. These can be
represented easily in AQUATOX (see Technical Documentation), although access to the
additional analytical power is not obvious to the casual user. We will go back to
ESFenPond.aps for this example. Open and rename the study "ESFenPond U.aps." Click on
the Setup button and choose Uncertainty Setup.
That will open a large window with several choices at the top. Because AQUATOX
uses a Latin hypercube sampling algorithm, it requires far fewer iterations than brute-force
Monte Carlo sampling. Therefore, the default number of iterations is 20. This is probably
adequate for an analysis involving a single variable; however, it should be increased as more
variables are chosen for analysis (and could be decreased if you just wish to become familiar
with the procedure). To replicate the sampled values in successive analyses, you should choose
a non-random seed for the number generator and keep it the same.
A tree structure allows the user to navigate easily through all variables subject to
uncertainty analysis and to list those variables already chosen for analysis. We will choose
Distributions by State Variable, Dissolved org. tox l:[Esfenvalerate], Chemical Parameters,
and Tl: Mult. Point Source Load by. The latter will open a separate interactive window to aid
in picking a distribution and choosing the parameters. Choose "Use a Distribution" to activate
the window.
A normal distribution is the default, with a standard deviation of 60% of the mean. The
user can accept the default distribution parameters or change them. The graph will show the
results of any changes. The mean values are derived from the underlying parameter sets, but
altering them in the uncertainty screen will not change them in the database and the deterministic
simulation. We will keep the normal distribution, but change the standard deviation to 0.5 to
avoid significant truncation at 0 (which has the effect of biasing the distribution toward higher
values). We can also plot the approximate cumulative distribution that is used in the Latin
hypercube sampling. Let's use that distribution to vary the multiplicative factor for point-source
loadings of esfenvalerate in water. For each iterative simulation, the model will sample one
value from the distribution and use it as a multiplicative factor for all dynamic point-source
loading values.
Click on OK, which will take you back to the tree structure. You should collapse the tree
structure and choose Selected Distributions for Uncertainty Run to make sure that you are
using only the distributions that you intend to use. Also, be sure that the button in the upper left
is checked to Run Uncertainty Analysis (that button is a convenient way to toggle between the
deterministic and uncertainty options without disturbing the individual distributions). Back on
the main screen, we see that there is now a message in red in the upper right indicating the
number of iterations chosen. That message only appears when the uncertainty analysis is
enabled.
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CHAPTER 6
R Run Uncertainty Analysis
V Utilize Non-Random Seed
Number or Iterations |20
Seed for Pseudo r^i
Random Generator I™
(integer)
(inteoer)
All Distributions
Distributions by Parameter
Distributions by State Variable
Dissolved org. tox 1: [Esfen vale rate]
Chemical Parameters
T1: Molecular Weigbt
T1: Dissasociation Constant (pKa)
T1: Solubility (ppm)
T1: Henry's Law Const, (attn. mA3/mol)
T1: Vapor Pressure (mm Hg)
T1: Octanol-Water Partition Coeff (Log Kow)
T1: Setl/Detr Water Partition Coeff (mg/L)
T1: Activation Energy for Temp (cai/rnol)
T1: Anaerobic Microbial Degrdn. (L/d)
T1: Aerobic Microbial Degrdn. (L/d)
T1: Uncatalyzed Hydrolysis (L/d)
T1: Acid Catalyzed Hydrolysis (L/d)
T1: Base Catalyzed Hydrolysis (L/d)
T1: Photolysis Rate (L/ti)
T1: Oxidation Rate Const (L/ntol day)
T1: Weibull Shape Parameter
T1: Initial Condition (ug/L)
T1: Canst Load (ug/L)
T1: Multiply Loading by
T1: Mult. Direct Precip. Load by
T1: Mult. Point Source Load by ,
T1: Mult. Non-Point Source Load'^y
* Toxicity Parameters
Ammonia as N
Nitrate as N
Phosphate as P
Carbon dioxide
Oxygen
Refrac. sed. detritus
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac. detritus
Buried labile detritus
Diatoms!: [Diatoms]
Greens'!: [Stigeoclonium, peri,]
Bl greenl: [Blue-greens]
Macrophytel: [Myriophyilum]
SBilFpurinM- [rhirnnnmiill
I list ribul ion Information
Probability r Cumulative Distribution
For this parameter, in an Uncertainty Run:
^ lUse a Distribution!
C Use a Point Estimate
Distribution Type:
r Triangular
r Uniform
ff Normal
r Lognormal
Distribution Parameters:
Mean T
SKI. Deviation
Help
153
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
Distribution Information
For this parameter, in an Uncertainty Run
<* Use a Distribution
' Use a Point Estimate
Distribution InformatlGlTP
0.8
>i
I 0.6
H 0.4
D.
0.2
Probability ff Cumulative Distribution)
For this parameter, in an Uncertainty Run:
**" Use a Distribution
r Use a Point Estimate
Distribution Type:
r Triangular
r Uniform
a Normal
r Lognormal
Distribution Parameters:
Mean fl
Stt). Deviation (oS
Help
When you click on Perturbed or Control you will be asked to give the output file name
and location. The folder to Save in will be given as the Output folder, which is the default; you
might wish to change that to the Studies folder or some other special folder.
Output Uncertainty Results
Save in: -J Output
J5J EForkPoplarCr invasion_Rate_B.db
;«DEFPC3Const_Rate.db
3 EFPC3Const_Rate_B.db
E]EFPC3Dly2_Rate.db
£j EFPC 3Dly 2_Rate_B. db
!«]EFPC3Dly2_Rate_C,db
§Jfor_dick 3_Rate.db
§Jfor_dlck4_Rate,db
File name: lESFenPond U dieldrin
Save as type:
Paradox Format f* db)
y Shelby Co 52 ll-5J3.ate.db
§Jstream_Rate.db
|j stream_Rate_B.db
Bsv_OUT.db
|«JSV_OlJTl.db
Bsvjxirio.db
Bsv_oiJTll.db
SjSV_OUT12.db
J
Save
Cancel
154
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
Because of the voluminous output, it will be split into two or more separate files using
the root name that you provide. Ordinarily, you will not have to concern yourself with the
supplemental files, which will be listed in subsequent Save operations. However, you can load a
different database file to view a previous uncertainty analysis.
Select a New Datablselll
Look in: J Output
4- |t]
.KjESFenPondUldg.db
1 ESFenPond U Idg.TXT
fiESFenPond U ldg_dedine,CSV
El ESFenPond Uldg2.db
File name:
Open
Files oftype: Paradox Files f.db)
Cancel
The model will perform a deterministic simulation first to provide a baseline. Then it
will cycle through the uncertainty iterations, with a window to keep you informed of the
progress. The specifications for each successive simulation are saved in a text file so that one
can determine exactly what parameter values were used. A file labeled with a suffix of
"_decline.CSV" saves the results for the biomass risk graph, discussed below.
155
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
M AQUATOX- Main Window
File View Library Study Window Help
'
perturbed K«If
(: Study information
Version 2.00
Progress:
X Cancel
22%
(7/20/1994)
Percentage of Maximum Stepsize:
Model is set up to run 20
uncertainty iterations.
POND
ched
Attached
Operations:
State and Driving Variables In Study
Dissolved org. tox 1: [Esfenvalerate]
Ammonia as N
Nitrate as N
Phosphate as P
Carbon dioxide
Oxygen
Refrac. sed. detritus
Labile sed. detritus
Susp. and dissolved detritus
Buried refrac, detritus
Buried labile detritus
Diatomsl: [Diatoms]
Greenst: [Stigeoclonium, peri.]
Bl-green1: [Blue-greens]
Macrophytel: [Myriophyllum]
SedFeederl: [Chironomid]
SuspFeederl: [Daphnia]
SnaiH: [Gastropod]
Predlnvtl: [Predatory Zooplank.J
A ESFenPond U Idg.TXT - Notepad
File Edit Format Help
** DISTRIBUTIONS SUMMARY **
Tl: Mult. Point Source Load by: Point Estimate:!
Normal : Mean=l; Std. Deviation=0.5;
Uncertainty Run for Model "ESfenPOND U.aps'
-- ESFENVALERATE, POND --
Run Starts at 01-8-04 11:11 AM
Iteration 1 of 20
Tl: Mult. Point Source Load by 1.82414
Iteration 1 Completed. Database Updated.
Iteration 2 of 20
Tl: Mult. Point Source Load by 0.888302
Iteration 2 Completed. Database Updated.
156
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
The results of the uncertainty analysis can be viewed by scrolling to the far right tab in
the Output, and clicking on Uncertainty Graph. If you have not run a simulation or if you
wish to see the results of a different simulation, you may choose to View a Different Database;
furthermore, with a large number of state variables in a study, you may have to load a different
database (it will have the same name you gave the uncertainty output followed by "2"). Only
one state variable is plotted at a time, with separate curves for mean, minimum, maximum, mean
- one standard deviation, mean + one standard deviation, and deterministic results. The
deterministic simulation will use the value(s) entered for the uncertainty simulations. In this
example, the concentration of esfenvalerate in the water is the default plot. You may choose to
View a Different Variable, such as the mass of toxicant associated with shiners or the biomass
of bass. These are the distributions of the results for a particular state variable and are not
necessarily a reflection of the distribution of the sampled input variable. For example, the
maximum loading of esfenvalerate would almost certainly result in the minimum biomass of the
bass (the mean - standard deviation is negative in this example, and the minimum is 0).
Plotting catfish, we see that they are much more tolerant of esfenvalerate, although their biomass
in the pond declines under all scenarios. Unless you specify a seed value for the random number
generator and use the same number of iterations, you will get different results for these
probabilistic simulations.
T1 H2O (ug/L)
,0
3 0-
IO.O-
5/
=
9/
A
k
994
I
I
1
jfc, r-
Mean
— Minimum
— Maximum
— Mean -StDev
Mean + StDev
— Deterministic
7/8/1994 9/6/1994 11/5/1994 1/4/1995 3/5/1995 5/4/1995
157
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
5/9/1994
7/8/1994
9/6/1994
11/5/1994 1/4/1995
3/5/1995
5/4/1995
Catfish (g/sq.m)
1/8/2004 12:55:10 PM
0 65
5/9/
~z
/
T/-—
^f^^^^
994 7/8/
/"—x
/
/
~~~-^
V-
\V
XX
v\
\
\
994 9/6/
\
\
V
\
"\^^
V
"^Ss^^i
\v^
"~~-~
994 11/5/
-~~~_
' _
*===
1994 1/4/
= =
. _
—
--_
' — ,
= ^
Mean
— Minimum
— Maximum
— Mean + StDev
— Deterministic
995 3/5/1995 5/4/1995
A better way to compare the relative responses of organisms is to View Biomass Risk
Graph and designate the organisms you wish to compare. In this example, catfish and shiners
are the most tolerant to esfenvalerate; and, under at least one exposure scenario, they actually
increase (a "negative decline"). Note that each point on the graph corresponds to an iteration; if
the curves are not smooth, you may wish to increase the number of iterations to provide more
control. See Volume 2: Technical Documentation for additional information.
158
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
Biomass Risk Graph
100.0
90 0-
70 0
1 60.0
n
I 50.0
°~ 30 0
0 0-
-\
0^
o
0
o
0 1
0 1
0 1
01
q
I
-•-Bluegill
o Shiner
-*- Catfish
-»- Large mouth Bas
-100 -50 0 50 100
Percent Decline at Simulation End
Similarly, we can vary the input values for other variables by sampling from the
appropriate distributions. For example, we have two values for the Henry's Law constant for
esfenvalerate: a measured value of 6.1E-8 and a calculated value of 3.0E-6 (ARS Pesticide
Property Database). Why not just use the measured value? Unfortunately, the constant is not
easily measured, so the calculated value may have as much validity as the measured value.
Therefore, we can use a uniform distribution defined by the two values, with equal probability of
any value over that range being chosen. Henry's Law constant helps control the bioavailability
of organic toxicants, so the sensitivity to a range of possible values is of interest. Before running
the simulation, though, let's change the multiplicative loading for point sources back to 0.2, and
click on Use a Point Estimate to remove that variable from the uncertainty analysis.
Furthermore, it is not necessary to use 20 iterations for a single uniform distribution, so change it
to 10.
( Triangular
ff Uniform
r Normal
r" Lognormal
Distribution Parameters
Minimum |6.1E-8
Maximum II3E-6
ODOOODDOOODDOO
• Probability r Cumulative Distribution
For this parameter, in an Uncertainty Run
* Use a Distribution
C Use a Point Estimate
The results of varying just the Henry's Law constant for esfenvalerate are shown in the
Uncertainty Graph for bass. The spread of values, although very small, is due to the differences
in bioavailability and therefore differences in amount of toxicity. Likewise, the spread of
159
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
predicted esfenvalerate mass associated with shiners is small, suggesting that the model is not
sensitive to the uncertain Henry's Law constant values.
In another example, we will vary a critical parameter for the periphytic greens (nominally
Stigeoclonum] to see how it affects the response of this group. The most likely maximum
photosynthetic rate is set at 2 g/g-d; however, there is considerable variation reported in the
literature (Collins and Wlosinski 1983). The extreme values reported are 0.56 and 4.1. We
could take these as the constraints for a triangular distribution, but that would mean throwing out
the lowest and highest observed values because the constraints have zero probability. Therefore,
we will extend the constraints by 10% of the observed values.
160
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
Distribution Information
Stigeoclo.
Max Photosynthetic Rate (1/d)
• Probability r Cumulative Distribution
Distribution Type:
P Triangular
r Uniform
r Normal
r Loynoi mcil
For this parameter, in an Uncertainty Run:
• Use a Distribution
f~ Use a Point Estimate
Distribution Parameters:
Most Likely \2~
Minimum 10.504
Maximum 14.51
The results of varying this one photosynthetic parameter indicate that the model is
sensitive to it. It has a large effect on the biomass of the dominant periphyton; and, evidently,
that in turn affects the fate of esfenvalerate to some small extent in the latter part of the
simulation.
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
T1 H2O (ug/L)
3 0-
0.0-
5/
W
9/
j|
L
I
I
"•
Mean
— Minimum
— Maximum
— Mean -StDev
— Mean + StDev
994 7/8/1994 9/6/1994 11/5/1994 1/4/1995 3/5/1995 5/4/1995
In the final analysis, we will examine the effects of varying mean depth of water in the
pond. A normal distribution is used with a mean of 1.2 m and a standard deviation of 0.4. Based
on the log of the uncertainty analysis (ESFenPond U Depth.TXT), the minimum depth simulated
was 0.018 m, and the maximum depth was 1.859 m.
The periphyton biomass is sensitive to water depth. Periphyton are well adapted to
shallow water; the maximum biomass is at the minimum depth. However, they are light-limited
at the greater depths simulated in this turbid pond.
Because there is an abrupt decline in Stigeoclonum biomass that affects the deterministic
simulation and one tail of the distribution but not the other, we should examine the saved rates to
determine the cause of the decline. We see that on 1/1/1995 there was a sloughing event. A plot
of the limitations to photosynthesis suggests that there wasn't any sudden change in conditions
that caused the sloughing; rather, it was probably the combination of changing temperature
limitation coupled with severe light limitation (predicted ice-on occurred on l/l/).
Stigeoclonium, (g/sq.
1/9/2004 8:19:18 AM
30.0
25.0
20.0
15.0
10.0
5.0
0.0
5/9/1994 7/8/1994 9/6/1994 11/5/1994 1/4/1995 3/5/1995 5/4/1995
162
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 6
8 ioo.oo%
I
•g 80.00%
I
Stigoeclonum with Esfenvalerate
Stigeoclonum Limitations to Photosynthesis
S | 8 | g E
163
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-------
AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 7
7 QUALITY ASSURANCE
AQUATOX is designed to facilitate documentation of assumptions and data sources
for specific applications and to archive results. Note fields are provided for the study and for
each of the state-variable loading screens. These are intended to provide the user with a way
to record an overview of the study and to describe sources and salient features of the loading
data. Furthermore, almost every parameter has an associated comment field to document the
source of the value used. These fields are not fully utilized in the example sets; but, as
additional data are incorporated, comments should be used liberally.
A study, with all associated data and output, can be archived in a study file. Good
practice dictates that the version of AQUATOX used for the application should be saved as
well. In that way the study can be opened and results examined at any time; and, if
necessary, the model can be re-run. The main screen indicates the dates and times that the
perturbed and control simulations were run. If you make a change to a study, you may
choose not to save the changed file. To minimize file size, do not save the output; this can be
done by clicking on Study on the menu bar in the main screen and choosing Clear Results.
The file will usually be much smaller, but you will have to re-run the simulation to see the
results.
AQUATOX versions are upwardly compatible within reason—but not necessarily
years later—so if you open an old study with a newer version of the model, the data structure
will be updated. Usually this is automatic, but often the user will be informed of critical
steps in the upgrade, as shown in the sequence of information windows below, which take a
study from Release 1 (File Version 1.69) to Release 2. Some of these steps may indicate
changes that should be examined and perhaps changed in the updated study, such as
initializing the fractions available for phosphate loadings.
Information
J1J
Fractions Available for Phosphate loadings are being initialized to 1.0
Information
Average drift for benthic animals will be initialized to zero
OK
165
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 7
Distribution Data is being reinitialized.
Information.!
Information
OK
fJ"\ Results will not be loaded,
OK
•
' J"} Zoobenthos are being converted to grams per square meter,
"pKJ
m j Fish units are being converted to grams per square meter,
OK
Information
Information
Zoobenthos Carrying Capacity units are being converted to grams per square meter,
OK
Information
( J\ The "Min. Prey for Feeding" parameters for non pelagic animals are being converted to grams per square
XT meter.
OK
166
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AQUATOX (RELEASE 2) USER'S MANUAL
CHAPTER 7
Of course, studies are not backward compatible. If an earlier version of the program
attempts to access a later version of a study, an error message will be displayed and the study
will not be loaded.
File Version (2.00 ) is Greaterthan Executable Version: Unreadable.
167
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AQUATOX (RELEASE 2) USER'S MANUAL CHAPTER 7
168
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AQUATOX (RELEASE 2) USER'S MANUAL REFERENCES
REFERENCES
References Cited
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Heidtke. 1996. Mechanistic Modeling of Water Quality in Onondaga Lake. Pages
667-788 in S. W. Effler, ed. Limnological and Engineering Analysis of a Polluted
Urban Lake. Springer, New York, NY.
Hall, R. O., Jr., J. L. Tank, and M. F. Dybdahl. 2003. Exotic Snails Dominate Nitrogen and
Carbon Cycling in a Highly Productive Stream. Frontiers in Ecology and the
Environment 1: 407-411.
Park, R. A., and J. S. Clough. 2004. Aquatox (Release 2): Modeling Environmental Fate and
Ecological Effects in Aquatic Ecosystems. Volume 2: Technical Documentation. U.S.
Environmental Protection Agency, Office of Water, Washington, DC.
Redfield, A. C., B. H. Ketchum, and F. A. Richards. 1963. The Influence of Organics on the
Composition of Seawater. Pages 26-77 in M. N. Hill, ed. Comparative and
Descriptive Oceanography. Wiley, New York.
U.S. Environmental Protection Agency. 2000. AQUATOX for Windows: A Modular Fate
and Effects Model for Aquatic Ecosystems-Volume 3: Model Validation Reports,
Washington, DC.
Walz, N. 1995. Rotifer Populations in Plankton Communities: Energetics and Life History
Strategies. Experientia 51: 437-453.
Bibliography for Biotic Parameters
Alexander, M. 1965. Microbial Ecology. John Wiley and Sons, New York.
Allan, J. D. 1995. Stream Ecology: Structure and Function of Running Waters. Chapman &
Hall, London.
Anastacio, P. M., S. N. Neilson, and J. C. Marques. 1999. CRISP (Crayfish and Rice
Integrated System of Production): 2. Modelling Crayfish (Procambarus clarkii)
Population Dynamics. Ecological Modelling. 123.
Arscott, D. B., W. B. Bowden, and J. C. Finlay. 1998. Comparison of Epilithic Algal and
Bryophyte Metabolism in an Arctic Tundra Stream, Alaska. Jour. North American
BenthologicalSociety, 17: 210-227.
—. 2000. Effects of Dessication and Temperature/Irradiance on the Metabolism of 2 Arctic
Stream Bryophyte Taxa. Jour. North American Benthological Society, 19: 263-273.
Asaeda, T., and D. H. Son. 2000. Spatial structure and populations of a periphyton
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Balcom, N. C. 1994. Aquatic Immigrants of the Northeast, No. 4: Asian Clam, Corbicula
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Barko, J. W., R. M. Smart, D. G. Hardin, and M. S. Matthews. 1980. Growth and
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AQUATOX (RELEASE 2) USER'S MANUAL REFERENCES
Influence of Temperature and Light. U.S. Army Engineer Waterways Experiment
Station, Vicksburg, Miss.
Bauer, G. 2001. Factors Affecting Naiad Occurrence and Abundance. Pages 155-162 in G.
Bauer and K. Wachtler, eds. Ecology and Evolution of the Freshwater Mussels
Unionoida. Springer-Verlag, Berlin.
Bauer, G., and K. Wachtler, eds. 2001. Ecology and Evolution of the Freshwater Mussels
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Berg, K., P. M. Jonosson, and K. W. Ockelmann. 1962. The Respiration of Some Animals
from the Profundal Zone of a Lake. Hydrobiologia 19: 1-39.
Borchardt, M. A. 1996. Nutrients. Pages 183-227 in R. J. Stevenson, M. L. Bothwell, and R.
L. Lowe, eds. Algal Ecology: Freshwater Benthic Ecosystems. Academic Press, San
Diego.
Carpenter, S. R., and J. F. Kitchell, eds. 1993. The Trophic Cascade in Lakes. Cambridge
University Press, Cambridge.
Collins, C. D. 1980. Formulation and Validation of a Mathematical Model of Phytoplankton
Growth. Ecology 6: 639-649.
DeNicola, D. M. 1996. Periphyton Responses to Temperature at Different Ecological Levels.
Pages 149-181 in R. J. Stevenson, M. L. Bothwell, and R. L. Lowe, eds. Algal
Ecology: Freshwater Benthic Ecosystems. Academic Press, San Diego.
Effler, S. W., S. M. Doerr, M. T. Auer, R. P. Canale, R. K. Gelda, E. M. Owens, and T. M.
Heidtke. 1996. Mechanistic Modeling of Water Quality in Onondaga Lake. Pages
667-788 in S. W. Effler, ed. Limnological andEngineering Analysis of a Polluted
Urban Lake. Springer, New York, NY.
Fogg, G. E. 1969. The Physiology of an Algal Nuisance. Proc. Royal SocietyB 173: 175-
189.
Goldsborough, L. G., and G. G. C. Robinson. 1996. Pattern In Wetlands. Pages 78-117 in R.
J. Stevenson, M. L. Bothwell, and R. L. Lowe, eds. Algal Ecology: Freshwater
Benthic Ecosystems. Academic Press, San Diego.
Hall, R. O., Jr., J. L. Tank, and M. F. Dybdahl. 2003. Exotic Snails Dominate Nitrogen and
Carbon Cycling in a Highly Productive Stream. Frontiers in Ecology and the
Environment 1: 407-411.
Hendrey, G. R., ed. 1984. Early Biotic Responses to Advancing Lake Acidification.
Butterworth Publishers, Woburn, Mass.
Hewett, S. W., and B. L. Johnson. 1992. Fish Bioenergetics 2 Model. Pages 79. University of
Wisconsin Sea Grant Institute, Madison.
Hill, W. R. 1992. Food Limitation and Interspecific Competition in Snail-dominated Streams.
Canadian Jour. Fisheries and Aquatic Sciences 49: 1257-1267.
—. 1996. Light Effects. Pages 121-148 in R. J. Stevenson, M. L. Bothwell, and R. L. Lowe,
eds. Algal Ecology: Freshwater Benthic Ecosystems. Academic Press, San Diego.
Home, A. J., and C. R. Goldman. 1994. Limnology. McGraw-Hill, New York.
Jorgensen, L. A., S. E. Jorgensen, and S. N. Nielsen. 2000. ECOTOX: Ecological Modelling
and Ecotoxicology. Elsevier Science.
Jorgensen, S. E., ed. 1979. Handbook of Environmental Data and Ecological Parameters.
Pergamon Press, Oxford.
170
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