Release 2.2 Addendum (PDF)

							United States Environmental Protection Agency

Office of Water 4305T

EPA-823-R-06-008 October 2006

AQUATOX (RELEASE 2.2): MODELING ENVIRONMENTAL FATE AND ECOLOGICAL EFFECTS IN 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.

What’s New
• AQUATOX now outputs retention time of a waterbody:

Retention = Volume / Discharge where:
Retention Volume Discharge •

(1b)

= = =

retention time for water body (d) current volume of water (m3), 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.

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, Y1 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 Entrainment 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. USER-SUPPLIED PARAMETERS AND DATA

APPENDIX B

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 INTERNAL TECH DOC DESCRIPTION UNITS

ChemicalRecord
Chemical CAS Registry No. Molecular Weight Dissociation Constant Solubility Henry's Law Constant Vapor Pressure Octanol-water partition coefficient KPSED Activation Energy for Temperature ChemName CASRegNo MolWt pka Solubility Henry VPress LogP KPSed En

Chemical Underlying Data
N/A N/A MolWt pKa N/A Henry N/A LogKow KPSed En KAnaerobic KMDegrdn KUncat KAcid

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 N/A N/A g/mol negative log ppm atm m3 mol-1 mm Hg unitless L/kg OC cal/mol 1/d 1/d 1/d L/mol · d

Rate of Anaerobic Microbial KMDegrAnaerobic Degradation Max. Rate of Aerobic Microbial Degradation Uncatalyzed hydrolysis constant Acid catalyzed hydrolysis constant KMDegrdn KUnCat KAcid

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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 WeibullSlopeFactor ChemIsBase 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

APPENDIX B
UNITS L/mol · d 1/d L/ mol d unitless unitless True/False

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

SiteRecord
Site Name Max Length (or reach) Vol. Surface Area Mean Depth Maximum Depth Ave. Temp. (epilimnetic or hypolimnetic) SiteName SiteLength Volume Area ZMean ZMax TempMean

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 ExtinctH2O TotLength WaterShed

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) N/A km m3 m2 m m °C °C Deg, decimal Langleys/day Langleys/day mg/L mg CaCO3 / L mg/L mg/L m2 inches / year 1/m km km2

Epilimnetic Temp. Range (or TempRange hypolimnetic) Latitude Average Light Annual Light Range Total Alkalinity Hardness as CaCO3 Sulfate Ion Conc Total Dissolved Solids Limnocorral Wall Area Mean Evaporation Extinct. Coeff Water Total Length Watershed Area Latitude LightMean LightRange AlkCaCO3 HardCaCO3 SO4Conc TotalDissSolids LimnoWallArea MeanEvap ECoeffWater TotalLength WaterShedArea

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

SiteRecord (StreamSpecific)
Channel Slope Maximum Channel Depth Before Flooding Sediment Depth Stream Type use the below value Mannings Coefficient Percent Riffle Percent Pool Channel_Slope Max_Chan_Depth SedDepth StreamType UseEnteredManning EnteredManning PctRiffle PctPool

Site Underlying Data
Slope Max_Chan_Depth SedDepth Stream Type

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 m/m m m Choice from List true/false s / m1/3 % %

Manning Riffle Pool

manually entered Manning coefficient. percent riffle in stream reach percent pool in stream reach

SiteRecord (Sand-SiltClay Specific)
Silt: Critical Shear Stress for ts_silt Scour Silt: Critical Shear Stress for tdep_silt Deposition Silt: Fall Velocity Clay: Critical Shear Stress for Scour Clay: Critical Shear Stress for Deposition Clay: Fall Velocity FallVel_silt ts_clay tdep_clay FallVel_clay

Site Underlying Data
TauScourSed TauDepSed VTSed TauScourSed TauDepSed VTSed

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 kg/m2 kg/m2 m/s kg/m2 kg/m2 m/s

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

ReminRecord
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. DecayMax_Lab DecayMax_Refr Q10 TOpt TMax TRef pHMin pHMax P2OrgLab N2OrgLab P2OrgRefr N2OrgRefr P2OrgDissLab N2OrgDissLab P2OrgDissRefr N2OrgDissRefr O2Biomass O2N KSed PSedRelease NSedRelease

Remineralization Data
DecayMax ColonizeMax Q10 TOpt TMax TRef pHMin pHMax P2OrgLab N2OrgLab P2OrgRefr N2OrgRefr P2OrgDissLab N2OrgDissLab P2OrgDissRefr N2OrgDissRefr O2Biomass O2N KSed N/A N/A

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. °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/m2·d g/m2·d g/g·d g/g·d

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AQUATOX Release 2.2 Technical Documentation Addendum
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

APPENDIX B
UNITS ratio ratio ratio ratio

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

ZooRecord
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 Organics P to Organics Wet to Dry Gamete : Biomass Gamete Mortality Mortality Coefficient Carrying Capacity AnimalName Animal_Type Guild_Taxa ToxicityRecord FHalfSat CMax BMin Q10 TOpt TMax TRef EndogResp KResp KExcr N2Org P2Org Wet2Dry PctGamete GMort KMort KCap

Animal Underlying Data
N/A Animal Type Taxonomic type or guild N/A FHalfSat CMax BMin Q10 TOpt TMax TRef EndogResp KResp KExcr N2Org P2Org Wet2Dry PctGamete GMort KMort KCap

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 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 1/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
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 INTERNAL AveDrift VelMax LifeSpan FishFracLipid MeanWeight PrefRiffle PrefPool AutoSpawn SpawnDate1..3 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

APPENDIX B
UNITS fraction / day cm/s days g lipid/g org. wet g % % true/false date true/false integer true/false

Fish can spawn an unlimited UnlimitedSpawning number of times... Fish can only spawn... Use Allometric Equation to Calculate Maximum Consumption Intercept for weight dependence SpawnLimit UseAllom_C

CA

allometric consumption parameter allometric consumption parameter use allometric consumption respiration intercept for species specific metabolism weight dependence coefficient

real number real number true/false real number real number

Slope for weight dependence CB Use Allometric Equation to Calculate Respiration RA RB UseAllom_R RA RB

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AQUATOX Release 2.2 Technical Documentation Addendum
USER INTERFACE Use “Set 1" of Respiration Equations RQ RTL ACT RTO RK1 BACT RTM RK4 ACT Preference (ratio) Egestion (frac.) INTERNAL UseSet1 RQ RTL ACT RTO RK1 BACT RTM RK4 ACT TrophInt.Pref[ ] TrophInt.Egest[ ] Prefprey,pred EgestCoeffprey,pred RK4 RQ RTL ACT RTO RK1 BACT TECH DOC 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 1g 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

APPENDIX B
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

INTERNAL

TECH DOC

DESCRIPTION

UNITS

PlantRecord
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. Rate at 20 deg. C Mortality Coefficient Exponential Mort Coeff P to Organics N to Organics Light Extinction Wet to Dry PlantName PlantType Taxonomic_Type ToxicityRecord LightSat KPO4 KN KCarbon Q10 TOpt TMax TRef PMax KResp Resp20 KMort EMort P2Org N2Org ECoeffPhyto Wet2Dry

Plant Underlying Data
Plant Type Taxonomic Group N/A LightSat KP KN KCO2 Q10 TOpt TMax TRef PMax KResp Resp20 KMort EMort P2Org N2Org EcoeffPhyto Wet2Dry

For each Plant in the Simulation, the following parameters are required
plant's name- used for reference only N/A plant type: (Phytoplankton, Periphyton, Macrophytes, Bryophytes) Choice from List 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 photosynthetic 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 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 1/m-g/m3w ratio

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AQUATOX Release 2.2 Technical Documentation Addendum
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

APPENDIX B
UNITS m/d unitless g/m2 unitless cm/s newtons (kg m/s2)

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

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

AnimalToxRecord
LC50 LC50 exp time (h) K2 Elim rate const K1 Uptake const BCF Biotrnsfm rate EC50 growth Growth exp (h) EC50 repro Repro exp time (h) Ave. wet wt. (g) Lipid Frac Drift Threshold (ug/L) LC50 LC50_exp_time K2 K1 BCF BioRateConst EC50_growth Growth_exp_time EC50_repro Repro_exp_time Ave_wet_wt Lipid_frac Drift_Thresh

Animal Toxicity Parameters
LC50 ObsTElapsed K2 K1 BCF BioRateConst EC50Growth ObsTElapsed EC50Repro ObsTElapsed WetWt LipidFrac Drift Threshold

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 K1” option is selected Bioconcentration factor, only used if “Enter BCF” option is selected percentage of chemical that is biotransformed 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 μg/L h 1/d L / kg dry day L / kg dry 1/d μg/L h μg/L h g g lipid/g organ μg/L

TPlantToxRecord
EC50 photo EC50 exp time (h) EC50_photo EC50_exp_time

Plant Toxicity Parameter
EC50Photo ObsTElapsed

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 μg/L h

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AQUATOX Release 2.2 Technical Documentation Addendum
USER INTERFACE EC50 dislodge K2 Elim rate const K1 Uptake const BCF Biotrnsfm rate LC50 LC50 exp.time (h) Lipid Frac INTERNAL EC50_dislodge K2 K1 BCF BioRateConst LC50 LC50_exp_time Lipid_frac TECH DOC EC50Dislodge K2 K1 BCF BioRateConst LC50 ObsTElapsed LipidFrac 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 K1” option is selected bioconcentration factor, only used if “Enter BCF” option is selected percentage of chemical that is biotransformed to specific daughter products concentration of toxicant in water that causes 50% mortality exposure time in toxicity determination fraction of lipid in organism

APPENDIX B
UNITS μg/L 1/d L / kg dry day L / kg dry 1/d μg/L h g lipid/g org. dry

TChemical
Initial Condition Gas-phase conc. Loadings from Inflow InitialCond Tox_Air Loadings

Chemical Parameters
Initial Condition Toxicantair Inflow Loadings Point Source Loadings Direct Precipitation Load

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 μg/L g/m3 μg/L g/d g/m2 ·d g/dTox_AirGasphase concentrationg/m3 %

Loadings from Point Sources Alt_Loadings[Pointsource] Loadings from Direct Precipitation Nonpoint-source Loadings Alt_Loadings[Direct Precip]

Alt_Loadings[NonPointsource] Non-Point Source Loading Daily loading from non-point sources

Biotransformation

BioTrans[ ]

Biotransform

percentage of chemical that is biotransformed to specific daughter products

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APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

TRemineralize
Initial Condition InitialCond Loadings Loadings from Point Sources Alt_Loadings[Pointsource] Loadings from Direct Precipitation Non-point source loadings Fraction of Phosphate Available Alt_Loadings[Direct Precip]

Nutrient Parameters For each Nutrient to be simulated, O2 and CO2, the following parameters are required
Initial Condition Inflow Loadings Point Source Loadings Direct Precipitation Loa 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 mg/L mg/L g/d g/m2 ·d g/d

Alt_Loadings[NonPointsource] Non-Point Source Loading daily loading from non-point sources FracAvail

fraction of phosphate loadings that is available versus that which is unitless tied up in minerals

TSedDetr

Sed. Detritus Parameters
Initial Condition Toxicant Exposure Inflow Loadings

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 g/m2 μg/kg

Initial Condition Initial Condition Loadings from Inflow (Toxicant) Loadings

InitialCond TToxicant.InitialCond Loadings TToxicant.Loads

daily loading of the sedimented detritus as a result of the inflow of mg/L water μg/kg

Tox Exposure of Inflow L daily parameter; toxicant exposure of each type of inflowing detritus, for each chemical

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APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

TDetritus

Susp & Dissolved Detritus
Initial Condition

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 mg/L percentage percentage mg/L percentage percentage gorganic matter /d gorganic matter /d

Initial Condition Initial Condition: % Particulate Initial Condition: % Refractory Inflow Loadings All Loadings: % Particulate All Loadings: % Refractory

InitialCond Percent_Part_IC Percent_Refr_IC Loadings Percent_Part Percent_Refr

Inflow Loadings Percent Particulate Infl Percent Refractory Inflo Point Source Loadings

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

Loadings from Point Sources Alt_Loadings[Pointsource] Nonpoint-source Loadings (Associated with Organic Matter) (Toxicant) Initial Condition (Toxicant) Loadings (associated with Organic Matter) Alt_Loadings

Non-Point Source Loading daily loading from non-point sources

TToxicant.InitialCond TToxicant.Loads

Toxicant Exposure Tox Exposure of Inflow Loading

initial toxicant exposure of the suspended and dissolved detritus daily parameter; toxicant exposure of each type of inflowing detritus, for each chemical

μg/kg μg/kg

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AQUATOX Release 2.2 Technical Documentation Addendum

APPENDIX B

USER INTERFACE

INTERNAL

TECH DOC

DESCRIPTION

UNITS

TBuried Detritus
Initial Condition (Toxicant) Initial Condition InitialCond TToxicant.InitialCond

Buried Detritus
Initial Condition Toxicant Exposure

For Each Type of Buried Detritus, the following parameters are required
initial condition of the labile and refractory buried detruitus Kg/cu. m initial toxicant exposure of the labile and refractory buried detritus, Kg/cu. m for each chemical simulated

TPlant
Initial Condition Loadings from Inflow (Toxicant) Initial Condition (Toxicant) Loadings InitialCond Loadings TToxicant.InitialCond TToxicant.Loads

Plant Parameters
Initial Condition Inflow Loadings Toxicant Exposure

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 mg/L or g/m2 dry mg/L or g/m2 dry μg/kg

Tox Exposure of Inflow L daily parameter; toxicant exposure of the inflow loadings, for each μg/kg chemical simulated

TAnimal
Initial Condition InitialCond

Animal Parameters
Initial Condition

For each animal type simulated, the following parameters are required
initial condition of the animal mg/L or g/sq.m also expressed as g/m2 mg/L or g/sq. m μg/kg μg/kg

Loadings from Inflow (Toxicant) Initial Condition (Toxicant) Loadings

Loadings Ttoxicant.InitialCond TToxicant.Loads

Inflow Loadings Toxicant Exposure

daily loading as a result of the inflow of water initial toxicant exposure of the animal

Tox Exposure of Inflow L daily parameter; toxic exposure of the inflow loadings, for each chemical simulated Prefprey, pred EgestCoeff 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

Preference (ratio) Egestion (frac.)

TrophIntArray.Pref TrophIntArray.ECoeff

unitless unitless

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AQUATOX Release 2.2 Technical Documentation Addendum
USER INTERFACE INTERNAL TECH DOC DESCRIPTION

APPENDIX B
UNITS

TVolume
Initial Condition Water volume InitialCond Volume

Volume Parameters For each segment simulated, the following water flow parameters are required
Initial Condition Volume 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 m3 cu. m

Inflow of Water Discharge of Water

InflowLoad DischargeLoad

Inflow of Water Discharge of Water

inflow of water; daily parameter, can choose between constant and m3 /d (cu.m/d) dynamic loadings discharge of water; daily parameter, can choose between constant and dynamic loadings m3 /d

Site Characteristics
Site Type SiteType

Site Characteristics
Site Type

The following parameters are required
site type affects many portions of the model. Pond, Lake, Stream, Reservoir, Limnocorral m

Site Mean Depth

DynZMean

user entered mean depth

optional, time series of mean depth for site

Temperature
Initial Condition Could this system stratify Valuation or loading InitialCond

Temperature
Initial condition

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 °C true/false °C

Wind
Initial Condition Mean Value InitalCond MeanValue

Wind

Wind parameters required
initial wind velocity 10 m above the water mean wind velocity m/s m/s

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AQUATOX Release 2.2 Technical Documentation Addendum
Wind Loading USER INTERFACE Wind INTERNAL Wind TECH DOC daily parameter; wind velocity 10 m above the water; can choose default time series, constant or dynamic loadings DESCRIPTION

APPENDIX B
m/s UNITS

Light
Initial Condition Loading Photoperiod Light Loadsrec Photoperiod

Light
Light

Light Parameters Required
ly/d daily parameter; avg. light intensity at segrment top; can choose annual mean, constant loading or dynamic loadings

Photoperiod

fraction of day with daylight; optional, can be calculated from latitude

hr/d

pH
Initial Condition State Variable Valuation Mean alkalinity InitialCond pH alkalinity

pH
pH alkalinity

pH Parameters Required
initial pH value pH of the segment; can choose constant or daily value. mean Gran alkalinity (if dynamic pH option selected) pH pH μeq CaCO3/L

Sand / Silt / Clay

TSediment

Inorganic Sediment If the inorganic sediments model is included in Parameters AQUATOX, the following parameters are required for sand, silt, and clay
Initial Condition FracSed Inflow Loadings Point Source Loadings Direct Precipitation Load 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 mg/L Fraction mg/L g/d Kg ·d g/d

Initial Susp. Sed. Frac in Bed Seds Loadings from Inflow

InitialCond FracInBed Loadings

Loadings from Point Sources Alt_Loadings[Pointsource] Loadings from Direct Precipitation Non-point source loadings Alt_Loadings[Direct Precip]

Alt_Loadings[NonPointsource] Non-Point Source Loading Daily loading from non-point sources

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