United States Office of Water EPA-823-R-06-008
Environmental Protection Agency 4305T October 2006
AQUATOX (RELEASE 2.2): MODELING
ENVIRONMENTAL FATE AND ECOLOGICAL EFFECTS
|N AQUATIC ECOSYSTEMS:
Technical Documentation (addendum)
Background
Minor changes have been made to the AQUATOX model since Release 2.1 was publicly
released. This document describes changes in the model that distinguish Release 2.2 from
Release 2.1 and describes any changed equations.
leaf's New
• AQUATOX now outputs retention time of a waterbody:
Retention = Volume I Discharge (1 b)
where:
Retention = retention time for water body (d)
Volume = current volume of water (m3),
Discharge = discharge of water from waterbody (m3/d), and
• There has been a refinement in the way that the light extinction due to blue-greens is
calculated that improves the calculation of self-shading and improves simulations of
blue-greens overall.
o When calculating self-shading for blue-greens, the model accounts for more
intense self shading in the upper layer of the water column due to the floating
concentration of blue-greens there.
o The Extinction term for blue-greens (within equation (34) from the AQUATOX
Release 2 Technical Documentation) is multiplied by the segment thickness and
divided by the thickness over which blue-greens occur to account for the more
intense self-shading effects of these blue greens concentrated at the top of the
water.
• AQUATOX now calculates, as an additional index, blue-greens as a percentage of the
total phytoplankton biomass
• AQUATOX now utilizes mean velocity rather than daily velocity when calculating
"Adaptation" for sloughing velocity (see equation (3a) from the AQUATOX Release 2.1
Technical Documentation Addendum)
o In Release 2.1, a unique Adaptation was calculated for each time-step depending
on the mean velocity on that day.
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AQUATOX Release 2.2 Technical Documentation Addendum
o In Release 2.2, a constant Adaptation is calculated using code that calculates the
site's mean velocity on an annual basis.
o Using a constant value was the original intent for the Adaptation factor and this
change should improve the model's capabilities to simulate periphyton across
sites.
AQUATOX Release 2.1 (and previous versions) errantly under-calculated the effects of
excess temperature in plants.
o The mortality effects of excess temperature in plants should slowly increase up
until 100% mortality is achieved at the maximum temperature (TMax) level, (see
equation (59) and Figure 39 from the AQUATOX Release 2 Technical
Documentation)
o Release 2.1 (and previous versions) had a coding error in which excess
temperature effects were not calculated until TMax was exceeded. That equation
error has been fixed in Release 2.2.
o This has had a negligible effect on existing AQUATOX calibrations as
temperatures approaching and exceeding the TMax for various species were rarely
encountered, and temperature limitations on photosynthesis adequately captured
the majority of these effects.
An error has been fixed in which initial conditions for phosphate and nitrate, when
entered in units of Total P and Total N, were not calculated properly.
o There was an error in the back-calculation of the amount that is available as freely
dissolved nutrients by accounting for the nitrogen and phosphorus contributed by
suspended and dissolved detritus and phytoplankton.
o This had no effects on the existing set of calibrated study files.
Release 2.2 contains an improved algal parameter set (Plant "Library") and the
calibration of many of the enclosed study files has been improved.
There have been small refinements made to the display of output graphs (e.g. when
examining output on a very small scale, Yl and Y2 axis labels no longer disappear).
AQUATOX output units have been clarified with regard to wet or dry weight.
There is an improved Graphical User Interface (GUI) to more easily assign toxicity data,
by allowing a user to map links between chemicals and biota within a single entry screen
(see the "Edit All Toxicity Records'" button within animal and plants "underlying data").
When adding a new animal or plant, a small "seed" loading is added by default to avoid
extinctions (1E-5 mg/L or g/m2).
The help file has been updated to correct several light conversion factors (used when
inputting light loadings to AQUATOX).
Release 2.2 includes several minor interface refinements (e.g. units were clarified for
loadings in the "Suspended and dissolved detritus" entry screen in terms of dry vs. wet
weight as well as organic matter vs. organic carbon or BOD)
Other Changes to AQUATOX Technical Documentation
In the second printing of the Release 2 Technical Documentation (EPA-823-R-04-002, with a
blue cover) two tables were missing entries due to a software conversion problem in the printing
process. The following tables should be inserted on p. 4-1:
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AQUATOX Release 2.2 Technical Documentation Addendum
Table 3. Significant Differentiating Processes for Plants
Plant Type
Phytoplankton
Periphyton
Macrophytes
Bryophytes
Nutrient
Lim.
•
•
•
Current
Lim.
•
Sinking
•
Washout
•
Sloughing
•
Breakage
•
•
Habitat
•
•
•
•
Table 4. Significant Differentiating Processes for Animals
Animal Type
Pelagic
Invert.
Benthic
Invert.
Benthic Insect
Fish
Washout
•
Drift
•
4
Entrainment
•
•
4
Emergence
•
Promotion
*
Multi-year
•
The following are citations missing from the References section of the Release 2 and 2.1
Technical Documentation:
Hanson, Paul C., Timothy B. Johnson, Daniel E. Schindler, and James F. Kitchell. 1997. Fish
Bioenergetics 3.0. Madison: Center for Limnology, University of Wisconsin.
Sterner, Robert W., and Nicholas B. George. 2000. Carbon, Nitrogen, and Phosphorus
Stoichiometry of Cyprinid Fishes. Ecology 81:127-140.
The Release 2.1 Technical Documentation Addendum omitted Appendix B (a list of AQUATOX
parameters). The following is the complete and updated Appendix B:
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
APPENDIX B. USER-SUPPLIED PARAMETERS AND DATA
The model has many parameters and internal variables. Most of these are linked to data structures such as ChemicalRecord, SiteRecord, and ReminRecord, which in
turn may be linked to input forms that the user accesses through the Windows environment. Although consistency has been a goal, some names may differ between the code, the
user interface, and the technical documentation
USER INTERFACE
Chemical
CAS Registry No.
Molecular Weight
Dissociation Constant
Solubility
Henry's Law Constant
Vapor Pressure
Octanol- water partition
coefficient
KPSED
Activation Energy for
Temperature
Rate of Anaerobic Microbial
Degradation
Max. Rate of Aerobic
Microbial Degradation
Uncatalyzed hydrolysis
constant
Acid catalyzed hydrolysis
constant
INTERNAL
ChemicalRecord
ChemName
CASRegNo
MolWt
pka
Solubility
Henry
VPress
LogP
KPSed
En
KMDegr Anaerobic
KMDegrdn
KUnCat
KAcid
TECH DOC
Chemical
Underlying Data
N/A
N/A
MolWt
pKa
N/A
Henry
N/A
LogKow
KPSed
En
KAnaerobic
KMDegrdn
KUncat
KAcid
DESCRIPTION
For each chemical simulated, the following
parameters are required
chemical's Name. Used for Reference only.
CAS Registry Number. Used for Reference only.
molecular weight of pollutant
acid dissociation constant
Not utilized as a parameter by the code.
Henry's law constant
Not utilized as a parameter by the code.
log octanol- water partition coefficient
detritus- water partition coefficient
Arrhenius activation energy
decomposition rate at 0 g/m3 oxygen
maximum (microbial) degradation rate
the measured first-order reaction rate at pH 7
pseudo-first-order acid-catalyzed rate constant for a given pH
UNITS
N/A
N/A
g/mol
negative log
ppm
atm m3 mol-1
mmHg
unitless
L/kgOC
cal/mol
1/d
1/d
1/d
L/mol • d
-1-
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Base catalyzed hydrolysis
constant
Photolysis Rate
Oxidation Rate Constant
Weibull Shape Parameter
Weibull Slope Factor
Chemical is a Base
INTERNAL
KBase
PhotolysisRate
OxRateConst
Weibull_Shape
WeibullSlopeF actor
ChemlsBase
TECH DOC
KBase
KPhot
N/A
Shape (Internal Model)
Slope Factor (External
Model)
if the compound is a base
DESCRIPTION
pseudo-first-order rate constant for a given pH
direct photolysis first-order rate constant
Not utilized as a parameter by the code.
parameter expressing variability in toxic response; default is 0.33
slope at LC50 multiplied by LC50
compound is a base
UNITS
L/mol • d
1/d
L/ 'mold
unitless
unitless
True/False
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Site Name
Max Length (or reach)
Vol.
Surface Area
Mean Depth
Maximum Depth
Ave. Temp, (epilimnetic or
hypolimnetic)
Epilimnetic Temp. Range (or
hypolimnetic)
Latitude
Average Light
Annual Light Range
Total Alkalinity
Hardness as CaCO3
Sulfate Ion Cone
Total Dissolved Solids
Limnocorral Wall Area
Mean Evaporation
Extinct. Coeff Water
Total Length
Watershed Area
INTERNAL
SiteRecord
SiteName
SiteLength
Volume
Area
ZMean
ZMax
TempMean
TempRange
Latitude
LightMean
LightRange
AlkCaCOS
HardCaCO3
SO4Conc
TotalDissSolids
LimnoWallArea
MeanEvap
ECoeffWater
TotalLength
WaterShedArea
TECH DOC
Site Underlying
Data
N/A
Length
Volume
Area
ZMean
ZMax
TempMean
TempRange
Latitude
LightMean
LightRange
N/A
N/A
N/A
N/A
LimnoWallArea
MeanEvap
ExtinctmO
TotLength
Watershed
DESCRIPTION
For each water body simulated, the following
parameters are required
site's name- used for reference only
maximum effective length for wave setup
initial volume of site (must be copied into state var.)
site area
mean depth, (initial condition if mean depth is selected)
maximum depth
mean annual temperature of epilimnion (or hypolimnion)
annual temperature range of epilimnion (or hypolimnion)
Latitude
mean annual light intensity
annual range in light intensity
Not utilized as a parameter by the code.
Not utilized as a parameter by the code.
Not utilized as a parameter by the code.
Not utilized as a parameter by the code.
area of limnocorral walls; only relevant to limnocorral
mean annual evaporation
light extinction of wavelength 312.5 nm in pure water
total river length for calculating phytoplankton retention
watershed area for estimating total river length (above)
UNITS
N/A
km
3
m
m2
m
m
°C
°C
Deg, decimal
Langleys/day
Langleys/day
mg/L
mg CaCOS /L
mg/L
mg/L
m2
inches / year
1/m
km
km2
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Channel Slope
Maximum Channel Depth
Before Flooding
Sediment Depth
Stream Type
use the below value
Mannings Coefficient
Percent Riffle
Percent Pool
Silt: Critical Shear Stress for
Scour
Silt: Critical Shear Stress for
Deposition
Silt: Fall Velocity
Clay: Critical Shear Stress
for Scour
Clay: Critical Shear Stress
for Deposition
Clay: Fall Velocity
INTERNAL
SiteRecord (Stream-
Specific)
Channel Slope
Max_Chan_Depth
SedDepth
StreamType
UseEnteredManning
EnteredManning
PctRiffle
PctPool
SiteRecord (Sand-Silt-
Clay Specific)
ts_silt
tdep_silt
FallVel_silt
ts clay
tdep clay
FallVel_clay
TECH DOC
Site Underlying
Data
Slope
Max_Chan_Depth
SedDepth
Stream Type
Manning
Riffle
Pool
Site Underlying
Data
TauScourSed
TauDepSed
VTSed
TauScourSed
TauDepSed
VTSed
DESCRIPTION
For each stream simulated, the following
parameters are required
slope of channel
depth at which flooding occurs
maximum sediment depth
concrete channel, dredged channel, natural channel
do not determine Manning coefficient from streamtype
manually entered Manning coefficient.
percent riffle in stream reach
percent pool in stream reach
For each stream with the inorganic sediments
model included, the following parameters are
required
critical shear stress for scour of silt
critical shear stress for deposition of silt
terminal fall velocity of silt
critical shear stress for scour of clay
critical shear stress for deposition of clay
terminal fall velocity of clay
UNITS
m/m
m
m
Choice from List
true/false
s/rn1'3
%
%
kg/m2
kg/m2
m/s
kg/m
kg/m2
m/s
-4-
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Max. Degrdn Rate, labile
Max Degrdn Rate, Refrac
Temp. Response Slope
Optimum Temperature
Maximum Temperature
Min. Adaptation Temp
Min pH for Degradation
Max pH for Degradation
P to Organics, Labile
N to Organics, Labile
P to Organics, Refractory
N to Organics, Refractory
P to Organics, Diss. Labile
N to Organics, Diss. Labile
P to Organics, Diss. Refr.
N to Organics, Diss. Refr.
O2 : Biomass, Respiration
O2 : N, Nitrification
Detrital Sed Rate (KSed)
PO4, Anaerobic Sed.
NH4, Aerobic Sed.
INTERNAL
ReminRecord
DecayMax Lab
DecayMax Refr
Q10
TOpt
TMax
TRef
pHMin
pHMax
P2OrgLab
N2OrgLab
P2OrgRefr
N2OrgRefr
P2OrgDissLab
N2OrgDissLab
P2OrgDissRefr
N2OrgDissRefr
O2Biomass
O2N
KSed
PSedRelease
NSedRelease
TECH DOC
Remineralization
Data
DecayMax
ColonizeMax
Q10
TOpt
TMax
TRef
pHMin
pHMax
P2OrgLab
N2OrgLab
P2OrgRefr
N20rgRefr
P2OrgDissLab
N2OrgDissLab
P2OrgDissRefr
N2OrgDissRefr
O2Biomass
O2N
KSed
N/A
N/A
DESCRIPTION
For each simulation, the following parameters are
required (pertaining to organic matter)
maximum decomposition rate
maximum colonization rate under ideal conditions
Not utilized as a parameter by the code.
optimum temperature for degredation to occur
maximum temperature at which degradation will occur
Not utilized as a parameter by the code.
minimum pH below which limitation on biodegradation rate
occurs.
maximum pH above which limitation on biodegradation rate
occurs.
ratio of phosphate to labile organic matter
ratio of nitrate to labile organic matter
ratio of phosphate to refractory organic matter
ratio of nitrate to refractory organic matter
ratio of phosphate to dissolved labile organic matter
ratio of nitrate to dissolved labile organic matter
ratio of phosphate to dissolved refractory organic matter
ratio of nitrate to dissolved refractory organic matter
ratio of oxygen to organic matter
ratio of oxygen to nitrogen
intrinsic sedimentation rate
Not utilized as a parameter by the code.
Not utilized as a parameter by the code.
UNITS
g/g'd
g/g'd
°C
°C
°C
PH
PH
fraction dry weight
fraction dry weight
fraction dry weight
fraction dry weight
fraction dry weight
fraction dry weight
fraction dry weight
fraction dry weight
unitless ratio
unitless ratio
m/d
g/m -d
g/m2-d
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Wet to Dry Susp. Labile
Wet to Dry Susp. Refr.
Wet to Dry Sed. Labile
Wet to Dry Sed. Refr.
INTERNAL
Wet2DrySLab
Wet2DrySRefr
Wet2DryPLab
Wet2DryPRefr
TECH DOC
Wet2DrySLab
Wet2DrySRefr
Wet2DryPLab
Wet2DryPRefr
DESCRIPTION
wet weight to dry weight ratio for suspended labile detritus
wet weight to dry weight ratio for suspended refractory detritus
wet weight to dry weight ratio for particulate labile detritus
wet weight to dry weight ratio for particulate refractory detritus
UNITS
ratio
ratio
ratio
ratio
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Animal
Animal Type
Taxonomic Type or Guild
Toxicity Record
Half Saturation Feeding
Maximum Consumption
Min Prey for Feeding
Temp Response Slope
Optimum Temperature
Maximum Temperature
Min Adaptation Temp
Endogenous Respiration
Specific Dynamic Action
Excretion:Respiration
N to Organic s
P to Organic s
Wet to Dry
Gamete : Biomass
Gamete Mortality
Mortality Coefficient
Carrying Capacity
INTERNAL
ZooRecord
AnimalName
Animal Type
Guild Taxa
ToxicityRecord
FHalfSat
CMax
BMin
Q10
TOpt
TMax
TRef
EndogResp
KResp
KExcr
N20rg
P20rg
Wet2Dry
PctGamete
GMort
KMort
KCap
TECH DOC
Animal Underlying
Data
N/A
Animal Type
Taxonomic type or guild
N/A
FHalfSat
CMax
BMin
Q10
TOpt
TMax
TRef
EndogResp
KResp
KExcr
N20rg
P20rg
Wet2Dry
PctGamete
GMort
KMort
KCap
DESCRIPTION
For each animal in the simulation, the following
parameters are required
animal's name- used for reference only
animal type (Fish, Pelagic Invert, Benthic Invert, Benthic Insect)
Taxonomic type or trophic guild
associates animal with appropriate toxicity data
half- saturation constant for feeding by a predator
maximum feeding rate for predator
minimum prey biomass needed to begin feeding
slope or rate of change in process per 10°C temperature change
optimum temperature for given process
maximum temperature tolerated
adaptation temperature below which there is no acclimation
basal respiration rate at 0° C for given predator
proportion assimilated energy lost to specific dynamic action
proportionality constant for excretion: respiration
ratio of nitrate to organic matter for given species
ratio of phosphate to organic matter for given species
ratio of wet weight to dry weight for given species
fraction of adult predator biomass that is in gametes
gamete mortality
intrinsic mortality rate
carrying capacity
UNITS
N/A
Choice from List
Choice from List
Choice from List
g/m3
g/g'd
g/m3 or g/m2
unitless
°C
°C
°C
I/day
unitless
unitless
fraction dry weight
fraction dry weight
ratio
unitless
1/d
1/d
g/m2
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Average Drift
VelMax
Mean lifespan
Initial fraction that is lipid
Mean Weight
Percent in Riffle
Percent in Pool
Fish spawn automatically,
based on temperature range
Fish spawn of the following
dates each year
Fish can spawn an unlimited
number of times. . .
Fish can only spawn...
Use Allometric Equation to
Calculate Maximum
Consumption
Intercept for weight
dependence
Slope for weight dependence
Use Allometric Equation to
Calculate Respiration
RA
RB
INTERNAL
AveDrift
VelMax
LifeSpan
FishFracLipid
MeanWeight
PrefRiffle
PrefPool
AutoSpawn
SpawnDatel..3
UnlimitedSpawning
SpawnLimit
UseAllom_C
CA
CB
UseAllom_R
RA
RB
TECH DOC
Dislodge
VelMax
LifeSpan
LipidFrac
WetWt
PreferenceHabitat
PreferenceHabitat
DESCRIPTION
fraction of biomass subject to drift per day
maximum water velocity tolerated
mean lifespan in days
fraction of lipid in organism
mean wet weight of organism
percentage of biomass of animal that is in riffle, as opposed to run
or pool
percentage of biomass of animal that is in pool, as opposed to run
or riffle
does AQUATOX calculate spawn dates
user entered spawn sates
allow fish to spawn unlimited times each year
number of spawns allowed for this species this year
use allometric consumption equation
allometric consumption parameter
allometric consumption parameter
use allometric consumption respiration
intercept for species specific metabolism
weight dependence coefficient
UNITS
fraction / day
cm/s
days
g lipid/g org. wet
g
%
%
true/false
date
true/false
integer
true/false
real number
real number
true/false
real number
real number
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Use "Set 1" of Respiration
Equations
RQ
RTL
ACT
RTO
RK1
BACT
RTM
RK4
ACT
Preference (ratio)
Egestion (frac.)
INTERNAL
UseSetl
RQ
RTL
ACT
RTO
RK1
BACT
RTM
RK4
ACT
TrophInt.Pref[ ]
Trophlnt.Egestf ]
TECH DOC
RQ
RTL
ACT
RTO
RK1
BACT
RK4
Prefprey,pred
EgestCoeffprey,pred
DESCRIPTION
use "set 1" of allometric respiration parameters
allometric respiration parameter
temperature below which swimming activity is an exponential
function of temperature
intercept for swimming speed for a Ig fish
coefficient for swimming speed dependence on metabolism
intercept for swimming speed above the threshold temperature
coefficient for swimming at low temperatures
not currently used as a parameter by the code
weight-dependent coefficient for swimming speed
intercept of swimming speed vs. temperature and weight
initial preference value from the animal parameter screen
fraction of ingested prey that is egested
UNITS
true/false
real number
°C
cm/s
s/cm
cm/s
1/°C
real number
real number
unitless
unitless
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Plant
Plant Type
Taxonomic Group
Toxicity Record
Saturating Light
P Half-saturation
N Half- saturation
Inorg C Half-saturation
Temp Response Slope
Optimum Temperature
Maximum Temperature
Min. Adaptation Temp
Max. Photosynthesis Rate
Photorespiration Coefficient
Resp. Rateat20deg. C
Mortality Coefficient
Exponential Mort Coeff
P to Organic s
N to Organic s
Light Extinction
Wet to Dry
INTERNAL
PlantRecord
PlantName
PlantType
Taxonomic Type
ToxicityRecord
LightSat
KP04
KN
KCarbon
Q10
TOpt
TMax
TRef
PMax
KResp
Resp20
KMort
EMort
P20rg
N2Org
ECoeffPhyto
Wet2Dry
TECH DOC
Plant Underlying
Data
Plant Type
Taxonomic Group
N/A
LightSat
KP
KN
KC02
Q10
TOpt
TMax
TRef
PMax
KResp
Resp20
KMort
EMort
P20rg
N2Org
EcoeffPhyto
Wet2Dry
DESCRIPTION
For each Plant in the Simulation, the following
parameters are required
plant's name- used for reference only
plant type: (Phytoplankton, Periphyton, Macrophytes, Bryophytes)
taxonomic group
associates plant with appropriate toxicity data
light saturation level for photosynthesis
half- saturation constant for phosphorus
half- saturation constant for nitrogen
half- saturation constant for carbon
slope or rate of change per 10°C temperature change
optimum temperature
maximum temperature tolerated
adaptation temperature below which there is no acclimation
maximum photo synthetic rate
coefficient of proportionality between, excretion and
photosynthesis at optimal light levels
respiration rate at 20°C
intrinsic mortality rate
exponential factor for suboptimal conditions
ratio of phosphate to organic matter for given species
ratio of nitrate to organic matter for given species
attenuation coefficient for given alga
ratio of wet weight to dry weight for given species
UNITS
N/A
Choice from List
Choice from List
Choice from List
ly/d
gP/m3
gN/m3
gC/m3
unitless
°C
°C
°C
1/d
unitless
g/g'd
g/g
g/g'd
fraction dry weight
fraction dry weight
l/m-g/m3w
ratio
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Phytoplankton:
Sedimentation Rate
Phytoplankton: Exp.
Sedimentation Rate
Carrying Capacity
Periphyton: Reduction in
Still Water
VelMax for macrophytes
Periphyton: Critical Force
(FCrit)
Percent in Riffle
Percent in Pool
INTERNAL
KSed
ESed
N/A
Red_Still_Water
Macro VelMax
FCrit
PrefRiffle
PrefPool
TECH DOC
KSed
ESed
N/A
RedStillWater
VelMax
FCrit
PrefRiffle
PrefPool
DESCRIPTION
intrinsic settling rate
exponential settling coefficient
Not utilized as a parameter by the code.
reduction in photosynthesis in absence of current
velocity at which total breakage occurs
critical force necessary to dislodge given periphyton group
percentage of biomass of plant that is in riffle, as opposed to run or
pool
percentage of biomass of plant that is in pool, as opposed to run or
riffle
UNITS
m/d
unitless
g/ra2
unitless
cm/s
newtons (kg m/s2)
%
%
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
LC50
LC50 exp time (h)
K2 Elim rate const
Kl Uptake const
BCF
Biotmsfm rate
EC50 growth
Growth exp (h)
EC50 repro
Repro exp time (h)
Ave. wet wt. (g)
Lipid Frac
Drift Threshold (ug/L)
EC50 photo
EC50 exp time (h)
INTERNAL
AnimalToxRecord
LC50
LC50_exp_time
K2
Kl
BCF
BioRateConst
EC50_growth
Growth_exp_time
EC50_repro
Repro_exp_time
Ave_wet_wt
Lipid frac
Drift_Thresh
TPlantToxRecord
EC50_photo
EC 50 exp time
TECH DOC
Animal Toxicity
Parameters
LC50
ObsTElapsed
K2
Kl
BCF
BioRateConst
ECSOGrowth
ObsTElapsed
ECSORepro
ObsTElapsed
WetWt
LipidFrac
Drift Threshold
Plant Toxicity
Parameter
ECSOPhoto
ObsTElapsed
DESCRIPTION
For each Chemical Simulated, the following
parameters are required for each animal simulated
concentration of toxicant in water that causes 50% mortality
exposure time in toxicity determination
elimination rate constant
uptake rate constant, only used if "Enter Kl" option is selected
Bioconcentration factor, only used if "Enter BCF" option is
selected
percentage of chemical that is bio transformed to
specific daughter products
external concentration of toxicant at which there is a 50%
reduction in growth
exposure time in toxicity determination
external concentration of toxicant at which there is a 50%
reduction in reprod
exposure time in toxicity determination
mean wet weight of organism
fraction of lipid in organism
concentration at which drift is initiated
For each Chemical Simulated, the following
parameters are required for each plant simulated
external concentration of toxicant at which there is 50% reduction
in photosynthesis
exposure time in toxicity determination
UNITS
pg/L
h
1/d
L / kg dry day
L /kg dry
1/d
pg/L
h
pg/L
h
g
g lipid/g organ
pg/L
pg/L
h
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
EC50 dislodge
K2 Elim rate const
Kl Uptake const
BCF
Biotmsfm rate
LC50
LC50 exp.time (h)
Lipid Frac
Initial Condition
Gas-phase cone.
Loadings from Inflow
Loadings from Point Sources
Loadings from Direct
Precipitation
Nonpoint-source Loadings
Biotransformation
INTERNAL
EC50_dislodge
K2
Kl
BCF
BioRateConst
LC50
LC50_exp_time
Lipid_frac
TChemical
InitialCond
Tox Air
Loadings
Alt LoadingsfPointsource]
Alt_Loadings[Direct Precip]
Alt_Loadings[NonPointsource]
BioTransf ]
TECH DOC
ECSODislodge
K2
Kl
BCF
BioRateConst
LC50
ObsTElapsed
LipidFrac
Chemical
Parameters
Initial Condition
Toxicantair
Inflow Loadings
Point Source Loadings
Direct Precipitation Load
Non-Point Source Loading
Biotransform
DESCRIPTION
for periphyton only: external concentration of toxicant at which
there is 50% dislodge of periphyton
elimination rate constant
uptake rate constant, only used if "Enter Kl" option is selected
bioconcentration factor, only used if "Enter BCF" option is
selected
percentage of chemical that is bio transformed to
specific daughter products
concentration of toxicant in water that causes 50% mortality
exposure time in toxicity determination
fraction of lipid in organism
For each Chemical to be simulated, the following
parameters are required
initial condition of the state variable
gas-phase concentration of the pollutant
Daily loading as a result of the inflow of water
Daily loading from point sources
Daily loading from direct precipitation
Daily loading from non-point sources
percentage of chemical that is bio transformed to specific daughter
products
UNITS
pg/L
1/d
L / kg dry day
L / kg dry
1/d
pg/L
h
g lipid/g org. dry
pg/L
g/m3
pg/L
g/d
g/m2 -d
g/dTox_AirGas-
phase
concentrationg/m3
%
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Initial Condition
Loadings from Point Sources
Loadings from Direct
Precipitation
Non-point source loadings
Fraction of Phosphate
Available
Initial Condition
Initial Condition
Loadings from Inflow
(Toxicant) Loadings
INTERNAL
TRemineralize
InitialCond
Loadings
Alt_Loadings[Pointsource]
Alt_Loadings[Direct Precip]
Alt LoadingsfNonPointsource]
FracAvail
TSedDetr
InitialCond
TToxicant.InitialCond
Loadings
TToxicant.Loads
TECH DOC
Nutrient Parameters
Initial Condition
Inflow Loadings
Point Source Loadings
Direct Precipitation Loa
Non-Point Source Loading
Sed. Detritus
Parameters
Initial Condition
Toxicant Exposure
Inflow Loadings
Tox Exposure of Inflow L
DESCRIPTION
For each Nutrient to be simulated, O2 and CO2,
the following parameters are required
initial condition of the state variable (TotP or TotN optional)
daily loading as a result of the inflow of water (TotP or TotN
optional)
daily loading from point sources
daily loading from direct precipitation
daily loading from non-point sources
fraction of phosphate loadings that is available versus that which is
tied up in minerals
For the Labile and Refractory Sedimented
Detritus compartments, the following parameters
are required
initial condition of the labile or refractory sedimented detritus
initial toxicant exposure of the state variable, for each chemical
daily loading of the sedimented detritus as a result of the inflow of
water
daily parameter; toxicant exposure of each type of inflowing
detritus, for each chemical
UNITS
mg/L
mg/L
g/d
g/m2 -d
g/d
unitless
g/m2
lig/kg
mg/L
l^g/kg
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Initial Condition
Initial Condition: %
Particulate
Initial Condition: %
Refractory
Inflow Loadings
All Loadings: % Particulate
All Loadings: % Refractory
Loadings from Point Sources
Nonpoint-source Loadings
(Associated with Organic
Matter)
(Toxicant) Initial Condition
(Toxicant) Loadings
(associated with Organic
Matter)
INTERNAL
TDetritus
InitialCond
Percent_Part_IC
Percent_Refr_IC
Loadings
Percent Part
Percent Refr
Alt_Loadings[Pointsource]
Alt_Loadings
TToxicant.InitialCond
TToxicant.Loads
TECH DOC
Susp & Dissolved
Detritus
Initial Condition
Inflow Loadings
Percent Particulate Infl
Percent Refractory Inflo
Point Source Loadings
Non-Point Source Loading
Toxicant Exposure
Tox Exposure of Inflow
Loading
DESCRIPTION
For the Suspended and Dissolved Detritus
compartments, the following parameters are
required
initial condition of suspended & dissolved detritus, as organic
matter, organic carbon, or biochemical oxygen demand
percent of initial condition that is particulate as opposed to
dissolved detritus
percent of initial condition that is refractory as opposed to labile
detritus
daily loading as a result of the inflow of water
daily parameter; % of all loadings that are particulate as opposed
to dissolved detritus
daily parameter; % of loading that is refractory as opposed to
labile detritus
daily loading from point sources
daily loading from non-point sources
initial toxicant exposure of the suspended and dissolved detritus
daily parameter; toxicant exposure of each type of inflowing
detritus, for each chemical
UNITS
mg/L
percentage
percentage
mg/L
percentage
percentage
gorganic matter ' Q
gorganic matter 'Q
l^g/kg
ug/kg
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Initial Condition
(Toxicant) Initial Condition
Initial Condition
Loadings from Inflow
(Toxicant) Initial Condition
(Toxicant) Loadings
Initial Condition
Loadings from Inflow
(Toxicant) Initial Condition
(Toxicant) Loadings
Preference (ratio)
Egestion(frac.)
INTERNAL
TBuried Detritus
InitialCond
TToxicant.InitialCond
TPlant
InitialCond
Loadings
TToxicant.InitialCond
TToxicant.Loads
TAnimal
InitialCond
Loadings
Ttoxicant.InitialCond
TToxicant.Loads
TrophlntArray .Pref
TrophlntArray .ECoeff
TECH DOC
Buried Detritus
Initial Condition
Toxicant Exposure
Plant Parameters
Initial Condition
Inflow Loadings
Toxicant Exposure
Tox Exposure of Inflow L
Animal Parameters
Initial Condition
Inflow Loadings
Toxicant Exposure
Tox Exposure of Inflow L
Prefprey, pred
EgestCoeff
DESCRIPTION
For Each Type of Buried Detritus, the following
parameters are required
initial condition of the labile and refractory buried detruitus
initial toxicant exposure of the labile and refractory buried detritus,
for each chemical simulated
For each plant type simulated, the following
parameters are required
initial condition of the plant
daily loading as a result of the inflow of water
initial toxicant exposure of the plant
daily parameter; toxicant exposure of the inflow loadings, for each
chemical simulated
For each animal type simulated, the following
parameters are required
initial condition of the animal
daily loading as a result of the inflow of water
initial toxicant exposure of the animal
daily parameter; toxic exposure of the inflow loadings, for each
chemical simulated
for each prey -type ingested, a preference value within the matrix
of preferences
for each prey-type ingested, the fraction of ingested prey that is
egested
UNITS
Kg/cu. m
Kg/cu. m
mg/L or g/m2 dry
mg/L or g/m2 dry
lig/kg
l^g/kg
mg/L or g/sq.m
also expressed as
g/m2
mg/L or g/sq. m
lig/kg
lig/kg
unitless
unitless
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
USER INTERFACE
Initial Condition
Water volume
Inflow of Water
Discharge of Water
Site Type
Site Mean Depth
Initial Condition
Could this system stratify
Valuation or loading
Initial Condition
Mean Value
INTERNAL
TVolume
InitialCond
Volume
InflowLoad
DischargeLoad
Site Characteristics
SiteType
DynZMean
Temperature
InitialCond
Wind
InitalCond
MeanValue
TECH DOC
Volume Parameters
Initial Condition
Volume
Inflow of Water
Discharge of Water
Site Characteristics
Site Type
user entered mean depth
Temperature
Initial condition
Wind
DESCRIPTION
For each segment simulated, the following water
flow parameters are required
initial condition of the water volume .
choose method of calculating volume; choose between manning's
equation, constant volume, variable depending upon inflow and
discharge, or use known values
inflow of water; daily parameter, can choose between constant and
dynamic loadings
discharge of water; daily parameter, can choose between constant
and dynamic loadings
The following parameters are required
site type affects many portions of the model.
optional, time series of mean depth for site
Temperature Parameters Required
initial temperature of the segment or layer (if vertically stratified)
could system vertically stratify
temperature of the segment, can use annual means for each
stratum and constant or dynamic values
Wind parameters required
initial wind velocity 10m above the water
mean wind velocity
UNITS
m3
cu. m
m /d (cu.m/d)
m3/d
Pond, Lake,
Stream, Reservoir,
Limnocorral
m
°C
true/false
°C
m/s
m/s
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AQUATOX Release 2.2 Technical Documentation Addendum
APPENDIX B
Wind Loading
USER INTERFACE
Initial Condition
Loading
Photoperiod
Initial Condition
State Variable Valuation
Mean alkalinity
Sand / Silt / Clay
Initial Susp. Sed.
Frac in Bed Seds
Loadings from Inflow
Loadings from Point Sources
Loadings from Direct
Precipitation
Non-point source loadings
Wind
INTERNAL
Light
Light
Loadsrec
Photoperiod
pH
InitialCond
PH
alkalinity
TSediment
InitialCond
FracInBed
Loadings
Alt LoadingsfPointsource]
Alt LoadingsfDirect Precip]
Alt LoadingsfNonPointsource]
Wind
TECH DOC
Light
Light
Photoperiod
pH
PH
alkalinity
Inorganic Sediment
Parameters
Initial Condition
FracSed
Inflow Loadings
Point Source Loadings
Direct Precipitation Load
Non-Point Source Loading
daily parameter; wind velocity 10m above the water; can choose
default time series, constant or dynamic loadings
DESCRIPTION
Light Parameters Required
daily parameter; avg. light intensity at segment top; can choose
annual mean, constant loading or dynamic loadings
fraction of day with daylight; optional, can be calculated from
latitude
pH Parameters Required
initial pH value
pH of the segment; can choose constant or daily value.
mean Gran alkalinity (if dynamic pH option selected)
If the inorganic sediments model is included in
AQUATOX, the following parameters are required
for sand, silt, and clay
initial condition of the sand, silt, or clay
fraction of the bed that is composed of this inorganic sediment.
Fractions of sand, silt, and clay must add to 1.0
daily sediment loading as a result of the inflow of water
daily loading from point sources
daily loading from direct precipitation
Daily loading from non-point sources
m/s
UNITS
ly/d
hr/d
PH
PH
ueq CaCO3/L
mg/L
Fraction
mg/L
g/d
Kg-d
g/d
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