New EQC

Fugacity-Based Equilibrium Criterion Model

Copyright 2011 by Trent University
Version 1.00 (BETA)
Based on the following publications:
Hughes, H., Mackay, D., Powell, D., and Kim, J. 2011. An updated state of the science EQC
model for evaluating chemical fate in the environment: Application to D5
(decamethylcyclopentasiloxane). Chemosphere XX, xxx-xxx.
Mackay, D., Di Guardio, A., Paterson, S., and Cowan, C.E. 1996.
Evaluating the environmental fate of a variety of types of chemicals using the EQC model.
Environ. Toxicol. Chem. 15, 1627-1637.

The Canadian Centre for Environmental Modelling and Chemistry

Trent University, Peterborough, Ontario, Canada
www.trentu.ca/cemc
Program coded by Lauren Hughes

This worksheet is provided to assist the user in the determination of the chemical parameters used in the
EQC simulation. It includes suggestions on how to estimate partition coefficients at different
temperatures, how to estimate solid-water partition coefficients from K OC and the OC content of the solids,
how Henry's Law constant is calculated from the vapor pressure and water solubility of the chemical, etc.
Values on this worksheet are not automatically added to the Chemical Database or used in the EQC
simulation. All Chemical Properties used in the simulation must be input by hand in the Inputs section.

Henry's Law Constant and KAW: Calculate from Solubility and Vapor Pressure
Enter Molar Mass (g/mol):
Enter Temperature (C):
Enter Solubility (mg/L or g/m):
Enter Vapor Pressure (Pa):

112.6
25
484
1.58E+03

Henry's Law Constant =

Air-Water Partition Coefficient (KAW) =

3.676E+02 Pam/mol

H=

1.483E-01

K AW =

H
RT

Organic Carbon-Water Partition Coefficient (KOC): Calculate from logKOW

Enter logKOW :

2.5

(Karickhoff method)

KOC =

1.297E+02 L/kg

K OC =0 . 41 K OW

(Seth et al. method)

KOC =

1.107E+02 L/kg

K OC =0 .35 K OW

Fish-Water Partition Coefficient (KFW or BCF): Calculate from logKOW

Enter logKOW :

2.5
0.05

Enter Fish Lipid Content:

KFW (BCF) =

1.581E+01 L/kg

log K OW

K FW =10

Converting from Solid-Air Partition Coefficients to Solid-Water Partition Coefficients

Enter Solid-Air Partition Coefficient:

5000 (dimensionless)

Enter KAW (see above, or 1/KWA):

Enter Density of Solid:
Solid-Water Partition Coefficient =

1.67E-02 (dimensionless)
2.4 kg/L
3.48E+01 L/kg

K SW =K SA K AW

W
S

Estimate Chemical Property at a Different Temperature Using Enthalpy of Phase Change

1) This method can be used to estimate vapor pressure, solubility in water, solubility in octanol, K AW, KOW, or
KOA.
2) Enthalpies can be positive or negative. Be sure to include the correct sign with the value.
3) The user should check that the new value is reasonable, i.e. the new value is higher or lower as
expected, and that the enthalpy is input in units of J/mol and not kJ/mol.
Enter Property Value at 25C:
Enter Desired Temperature (C):
Enter Enthalpy of Phase Change (J/mol):
Property at 45 C =

200
45
-40000
7.252E+01

pT = p298 .15 exp

[ (

H
1
1

R 298 . 15 T

)]

EA 1
1

R T 298 . 15

)]

Estimate Reaction Half-Life at a Different Temperature Using Activation Energies

Note: Activation energies are always positive, and are input in J/mol (not kJ/mol).

Enter Reaction Half Life at 25C (h):

Enter Desired Temperature (C):
Enter Activation Energy (J/mol):
Reaction Half-Life at 10 C =

720
10
1000
7.36E+02

T = 298 .15 exp

Solid-Water Partition Coefficients: Calculate from KOC and Organic Carbon Content
Enter KOC:

259 L/kg

Enter OC fraction for solids:

0.2

Solid-Water Partition Coefficient =

5.180E+01 L/kg

K SW =f OC K OC

Aerosol-Air Partition Coefficient (KQA): Calculate from Melting Point and Vapor Pressure
Enter Temperature:
Enter Melting Point:
Enter Vapor Pressure:

25 C
-45.6 C
1580 Pa

Subcooled Liquid Vapor Pressure =

KQA =

1.580E+03 Pa
3.797E+03

PL =Pexp 6 . 79
K QA =

610

PL

)]

TM
1 , T >T M
T

l, K AW, KOW, or

er as

(2981. 15 T1 )]

( T1 2981. 15 )]

)]

TM
1 , T >T M
T

NewEnvironmen
EQC tal

Version 1.00
Released August 2011

Fate of Test Chemical 111/29/2016 at 17:14:21

Printed on

13

Environmental Fate of Test Chemical 1

CHEMICAL PROPERTIES
indicates optional input
Chemical Name

References and Notes

EQC 2.02

Dibenzofuran

Molar Mass (g/mol)

Data Temperature (C)
Melting Point (C)
Vapor Pressure (Pa)
Solubility in Water (g/m)
Henry's Law Constant (Pam/mol)

168.191
25
81
0.4
4.75
1.67E-01

Reaction Half-Lives (hours)

In Air
In Water
In Soil
In Sediment

5.50E+01
170
1700
5500

H = P/S*M

Partition Coefficients
unitless
logKOW
Air-Water (KAW)
Aerosol-Air (KQA)

4.27
6.51E+00
-1.12E+00

Kaw=H/RT
Kqa=6E6/PL

OR
Aerosol-Water (KQW )
1

Chemical has a non-zero solubility in water (S > 0)

L/kg

KOC

1.30E+02
2.59
5.19
25.9
1.58E+01

Soil-Water
Sediment-Water
Suspended Sediment-Water
Fish-Water

Ksow=Koc*foc
Ksew=Koc*foc
Ksus=Koc*foc
Kf=Kow*L

Chemical is not at all soluble in water (S = 0)

unitless
Soil-Air
Sediment-Air
Suspended Sediment-Air
Fish-Air

5000
5300
8000
9000

14

Environmental Fate of Test Chemical 1

EMISSION RATES

Default Emissions

1 Ref.

Level I: Mass of Chemical in Environment

100000 kg
Level II: Emission Rate
1000 kg/h
Level III: Emission Rates
To Air
To Water
To Soil
To Sediment

1000
1000
1000
0

kg/h
kg/h
kg/h
kg/h

15

Environmental Fate of Test Chemical 1

ENVIRONMENTAL PROPERTIES
Environment Name

The Environmental Properties cannot be changed.

EQC Standard

Compartment Dimensions
Area (m)
Depth (m)
1.00E+11
1.00E+10
9.00E+10
1.00E+10

Air
Water
Soil
Sediment

Volume (m)
1000 100000000000000
20
200000000000
0.2
1.80E+10
0.05
5.00E+08

NOTE: In Level 1 and Level 2 calculations, the air and/or water fractions of the soil
and sediment compartments do not contribute to the Z value of those compartments.
Only the solid components of these two compartments may contain chemical.
Phase Properties
Air Compartment
Gas Phase
Aerosol (solid)
Water Compartment
Water (liquid)
Suspended Sediment
Fish
Soil Compartment
Pore Air
Pore Water
Soil Solids
Sediment Compartment
Sediment Solids
Pore Water

Volume Fraction Density (kg/m)

1.20E+00
1.00E+00
1.2
2.00E-11
2000
1000.0025
1.00E+00
1000
5.00E-06
1500
1.00E-06
1000
1500.24
0.2
1.2
0.3
1000
0.5
2400
1280
0.2
2400
0.8
1000

Fish Lipid Content

Suspended Sediment OC Content
Soil Solids OC Content
Sediment Solids OC Content
Advective Residence Time (hours)
Air
Water
Soil
N/A
Sediment

0.05
0.2
0.02
0.04

g/g
g/g
g/g
g/g

100
1000
50000

Transport Velocities and Mass Transfer Coefficients (MTCs)

m/h
m/year
Air side air-water MTC
5
Water side air-water MTC
0.05
Rain rate
0.0001
Aerosol deposition velocity
6.00E-10
Soil air phase diffusion MTC
0.02
Soil water phase diffusion MTC
1.00E-05
Soil air boundary layer MTC
5
Sediment-water MTC
1.00E-04
Sediment deposition velocity
5.00E-07
Sediment resuspension velocity
2.00E-07
Soil water runoff rate
5.00E-05
Soil solids runoff (erosion) rate
1.00E-08

4.38E+04
4.38E+02
8.76E-01
5.26E-06
1.75E+02
8.76E-02
4.38E+04
8.76E-01
4.38E-03
1.75E-03
4.38E-01
8.76E-05
16

Environmental Fate of Test Chemical 1

LEVEL I RESULTS
Chemical Name
Environment Name

Dibenzofuran
EQC Standard

Fugacity Ratio

0.2793384335

Subcooled Liq. Vap. Press.

1.431954762 Pa

Dimensionless Partition Coefficients

Soil-Water
6.22E+00
Sediment-Water
1.25E+01
Suspended Sediment-Water
3.89E+01
Fish-Water
1.58E+01
Total Mass of Chemical in Environment

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)

100000 kg
594562.13472 mol

Z Value
VZ
mol/mPa
mol/Pa
4.03E-04
4.03E+10
5.99E+00
1.20E+12
3.72E+01
3.35E+11
7.46E+01
7.46E+09
2.33E+02
2.33E+08
9.46E+01
1.89E+07

Total VZ

1.58E+12 mol/Pa

Fugacity

3.76E-07 Pa

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)

Default Emissions

Concentrations
mol/m
g/m
1.52E-10
2.25E-06
1.40E-05
2.81E-05
8.75E-05
3.56E-05

g/g
2.55E-08 3.79E-04 2.35E-03
4.72E-03
1.47E-02
5.99E-03

9.81E-04
1.97E-03
9.81E-03
5.99E-03

Activity

2.63E-07

Amounts
mol
kg
1.52E+04
4.50E+05
1.26E+05
2.81E+03
8.75E+01
7.12E+00

2.55E+03
7.58E+04
2.12E+04
4.72E+02
1.47E+01
1.20E+00

%
2.55E+00
7.58E+01
2.12E+01
4.72E-01
1.47E-02
1.20E-03

17

Environmental Fate of Test Chemical 1

Level I: Distribution of Chemical (% )

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)

Level I: Concentrations
1.00E-04
mol/m

9.00E-05
8.00E-05
7.00E-05
6.00E-05
5.00E-05
4.00E-05
3.00E-05
2.00E-05
1.00E-05
0.00E+00

18

Environmental Fate of Test Chemical 1

LEVEL I

Air

Total Chemical:
Fugacity:

100000 kg
3.76E-07 Pa

Mass (kg)
% of total
Conc. (g/m)

2.55E+03
2.55E+00
2.55E-08

Soil
Mass (kg)
% of total
Conc. (g/m)

Water
2.12E+04
2.12E+01
2.35E-03

Mass (kg)
% of total
Conc. (g/m)

7.58E+04
7.58E+01
3.79E-04

LEGEND
Sediment

Equilibrium

Mass (kg)
% of total
Conc. (g/m)

4.72E+02
4.72E-01
4.72E-03

19

Environmental Fate of Test Chemical 1

LEVEL II RESULTS
Chemical Name
Environment Name

Dibenzofuran
EQC Standard

Fugacity Ratio

0.2793384335

Subcooled Liq. Vap. Press.

1.431954762 Pa

Dimensionless Partition Coefficients

Soil-Water
6.22E+00
Sediment-Water
1.25E+01
Suspended Sediment-Water
3.89E+01
Fish-Water
1.58E+01
Emission Rate

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)
Total VZ

Advection
Reaction
Total
Fugacity

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)

1000 kg/h
5945.6213472 mol/h

Default Emissions

Z Value
VZ
mol/mPa
mol/Pa
4.03E-04
4.03E+10
5.99E+00
1.20E+12
3.72E+01
3.35E+11
7.46E+01
7.46E+09
2.33E+02
2.33E+08
9.46E+01
1.89E+07
1.58E+12 mol/Pa
Losses
D Values
Residence Times
mol/h
kg/h
mol/Pah
hours
days
1.34E+03
2.25E+02
1.60E+09
9.87E+02
4.11E+01
4.61E+03
7.75E+02
5.53E+09
2.86E+02
1.19E+01
5.95E+03
1.00E+03
7.13E+09
2.22E+02
9.24E+00
8.34E-07 Pa
Concentrations
mol/m
g/m
3.36E-10
4.99E-06
3.10E-05
6.22E-05
1.94E-04
7.89E-05

Total Mass of Chemical in Environment

g/g
5.66E-08 8.40E-04 5.22E-03
1.05E-02
3.26E-02
1.33E-02

2.18E-03
4.36E-03
2.18E-02
1.33E-02

Activity

5.82E-07

Amounts
mol
kg
3.36E+04
9.99E+05
2.79E+05
6.22E+03
1.94E+02
1.58E+01

5.66E+03
1.68E+05
4.70E+04
1.05E+03
3.26E+01
2.65E+00

%
2.55E+00
7.58E+01
2.12E+01
4.72E-01
1.47E-02
1.20E-03

2.22E+05 kg
1.32E+06 mol

Losses (details)
Advection

Air
Water
Soil
Sediment

Residence Times
Flow Rate
D Value
Loss Rates
hours
days
m/h
mol/Pah
mol/h
kg/h
% of total
100
4.17E+00
1.00E+12
4.03E+08
3.36E+02
5.66E+01
5.66E+00
1000
4.17E+01
2.00E+08
1.20E+09
9.99E+02
1.68E+02
1.68E+01
N/A
50000
2.08E+03
2.00E+03
1.49E+05
1.24E-01
2.09E-02
2.09E-03

Reaction
Half-Lives
hours
Air
Water
Soil
Sediment

55
170
1700
5500

days
2.29E+00
7.08E+00
7.08E+01
2.29E+02

Rate Const. D Value

Loss Rates
1/h
mol/Pah
mol/h
kg/h
% of total
1.26E-02
5.08E+08
4.24E+02
7.13E+01
7.13E+00
4.08E-03
4.88E+09
4.07E+03
6.85E+02
6.85E+01
4.08E-04
1.37E+08
1.14E+02
1.92E+01
1.92E+00
1.26E-04
9.40E+05
7.84E-01
1.32E-01
1.32E-02
20

Environmental Fate of Test Chemical 1

Level II: Distribution of Chemical (% )

Air
Water
Soil (solids)
Sediment (solids)
Suspended Sediment
Fish (wet weight)

Level II: Concentrations

2.50E-04

mol/m

2.00E-04

1.50E-04

1.00E-04

5.00E-05

0.00E+00
Air

Water

Soil (solids)

Sediment
(solids)

Suspended
Sediment

Fish (wet
weight)

21

Environmental Fate of Test Chemical 1

Emission Rate:
Fugacity:
Total Chemical:

1000 kg/h
8.34E-07 Pa
2.22E+05 kg

Air
Mass (kg)
% of total
Conc. (g/m)

Residence Times (system)

Advective
9.87E+02 h
Reactive
2.86E+02 h
Overall
2.22E+02 h

5.66E+01
5.66E+03
2.55E+00
5.66E-08

Soil
Mass (kg)
1.92E+01 % of total
Conc. (g/m)

7.13E+01

Water
4.70E+04
2.12E+01
5.22E-03

Mass (kg)
% of total
Conc. (g/m)

1.68E+02

1.68E+05
7.58E+01
8.40E-04

6.85E+02

Sediment

2.09E-02

1.05E+03
4.72E-01
1.05E-02

1.32E-01

LEGEND
Equilibrium
LEVEL II
Advection (kg/h)

Mass (kg)
% of total
Conc. (g/m)

Reaction (kg/h)

22

Environmental Fate of Test Chemical 1

LEVEL III RESULTS

Chemical Name
Environment Name

Dibenzofuran
EQC Standard

Fugacity Ratio

0.2793384335

Subcooled Liq. Vap. Press.

1.431954762 Pa

Dimensionless Partition Coefficients

Soil-Water
6.22E+00
Sediment-Water
1.25E+01
Suspended Sediment-Water
3.89E+01
Fish-Water
1.58E+01
Default Emissions
Air
Water
Soil
Sediment
Total

Emission Rates
Fugacity
VZ
Activity
kg/h
mol/h
Pa
mol/Pa
1000 5945.6213472
6.19E-06
4.03E+10
4.32E-06
1000 5945.6213472
1.15E-06
1.20E+12
8.05E-07
1000 5945.6213472
3.46E-05
3.67E+11
2.41E-05
0
0
1.09E-06
9.85E+09
7.60E-07
3000 17836.864041

Air: Bulk
Gas Phase
Aerosol
Water: Bulk
Liquid
Suspended Sediment
Fish (wet weight)
Soil: Bulk
Pore Air
Pore Water
Solids
Sediment: Bulk
Water
Solids

Z Value
Concentrations
Amounts
mol/mPa
mol/m
g/m
g/g
mol
kg
4.03E-04
2.50E-09
4.20E-07
2.50E+05
4.03E-04
2.50E-09
4.20E-07
2.50E+05
-4.52E-04
-2.80E-09
-4.71E-07
-2.35E-07
-5.60E-06
5.99E+00
6.91E-06
1.16E-03
1.38E+06
5.99E+00
6.91E-06
1.16E-03
1.38E+06
2.33E+02
2.68E-04
4.51E-02
3.01E-02
2.68E+02
9.46E+01
1.09E-04
1.84E-02
1.84E-02
2.18E+01
2.04E+01
7.06E-04
1.19E-01
1.27E+07
4.03E-04
1.39E-08
2.35E-06
5.02E+01
5.99E+00
2.07E-04
3.48E-02
1.12E+06
3.72E+01
1.29E-03
2.16E-01
9.02E-02
1.16E+07
1.97E+01
2.15E-05
3.61E-03
1.07E+04
5.99E+00
6.52E-06
1.10E-03
2.61E+03
7.46E+01
8.12E-05
1.37E-02
5.69E-03
8.12E+03

%
4.20E+04
4.20E+04
-9.42E-07
2.32E+05
2.32E+05
4.51E+01
3.67E+00
2.14E+06
8.45E+00
1.88E+05
1.95E+06
1.80E+03
4.39E+02
1.37E+03

1.74E+00
1.74E+00
-3.90E-11
9.63E+00
9.63E+00
1.87E-03
1.52E-04
8.86E+01
3.50E-04
7.80E+00
8.08E+01
7.48E-02
1.82E-02
5.66E-02
23

Environmental Fate of Test Chemical 1

Process D Values
mol/Pah
Air-Water Diffusion (air-side)
2.02E+07
Air-Water Diffusion (water-side)
2.99E+09
Air-Water Diffusion (total)
2.00E+07
Rain Dissolution to Water
5.99E+06
Rain Dissolution to Soil
5.39E+07
Aerosol Deposition to Water
-2.71E-03
Aerosol Deposition to Soil
-2.44E-02
Soil-Air Diffusion (air-phase)
7.26E+05
Soil-Air Diffusion (water-phase)
5.39E+06
Soil-Air Diffusion (boundary layer)
1.82E+08
Soil-Air Diffusion (total)
5.92E+06
Soil-Water Runoff (water)
2.69E+07
Soil-Water Runoff (solids)
3.35E+04
Water-Sediment Diffusion
5.99E+06
Sediment Deposition
1.16E+06
Sediment Resuspension
1.49E+05

Total Mass of Chemical in Environment

#N/A
#N/A Advection
Reaction
Total
Total D from
Air
Water
Soil
Sediment

2.41E+06 kg
1.43E+07 mol

Losses
Residence Times
mol/h
kg/h
hours
days
3.88E+03
6.52E+02
3.70E+03
1.54E+02
1.40E+04
2.35E+03
1.03E+03
4.28E+01
1.78E+04
3.00E+03
8.04E+02
3.35E+01
mol/Pah
9.98E+08
6.11E+09
1.83E+08
7.58E+06

J (see Mackay, 2001, p179)

J1
6.15E-06
J2
2.01E-02
J3
9.98E-01
J4
3.49E+07

Losses (details)
Advection

Air
Water
Soil
Sediment

Residence Times
Flow Rate
D Value
Loss Rates
hours
days
m/h
mol/Pah
mol/h
kg/h
% of total
100
4.17E+00
1.00E+12
4.03E+08
2.50E+03
4.20E+02
1.40E+01
1000
4.17E+01
2.00E+08
1.20E+09
1.38E+03
2.32E+02
7.75E+00
N/A
50000
2.08E+03
1.00E+04
1.97E+05
2.15E-01
3.61E-02
1.20E-03

Reaction
Half-Lifes
hours
Air
Water
Soil
Sediment

55
170
1700
5500

days
2.29E+00
7.08E+00
7.08E+01
2.29E+02

Rate Const. D Value

Loss Rates
1/h
mol/Pah
mol/h
kg/h
% of total
1.26E-02
5.08E+08
3.15E+03
5.29E+02
1.76E+01
4.08E-03
4.88E+09
5.63E+03
9.47E+02
3.16E+01
4.08E-04
1.50E+08
5.18E+03
8.71E+02
2.90E+01
1.26E-04
1.24E+06
1.35E+00
2.27E-01
7.58E-03

Intermedia Transport

Air to Water
Air to Soil
Water to Air
Water to Sediment
Soil to Air
Soil to Water
Sediment to Water

Half-Times
Equiv. Flow
D Value
Chemical Transport Rates
hours
days
m/h
mol/Pah
mol/h
kg/h
1.07E+03
4.48E+01
6.45E+10
2.60E+07
1.61E+02
2.71E+01
4.68E+02
1.95E+01
1.48E+11
5.98E+07
3.70E+02
6.22E+01
4.14E+04
1.73E+03
3.35E+06
2.00E+07
2.31E+01
3.89E+00
1.16E+05
4.84E+03
1.19E+06
7.15E+06
8.25E+00
1.39E+00
4.30E+04
1.79E+03
2.90E+05
5.92E+06
2.05E+02
3.44E+01
9.44E+03
3.93E+02
1.32E+06
2.70E+07
9.33E+02
1.57E+02
1.11E+03
4.64E+01
3.11E+05
6.14E+06
6.68E+00
1.12E+00
24

Environmental Fate of Test Chemical 1

Distribution of Chemical (% )

0.07 1.74 9.63

Air: Bulk
Water: Bulk
Soil: Bulk
Sediment: Bulk

88.55

Fugacity (Pa)
4.00E-05
3.50E-05
3.00E-05
2.50E-05
2.00E-05
1.50E-05
1.00E-05
5.00E-06
0.00E+00
Air

Water

Soil

Sediment
25

Environmental Fate of Test Chemical 1

D Values (mol/Pah)
Air-Water Diffusion (air-side)
Air-Water Diffusion (water-side)
Air-Water Diffusion (total)
Rain Dissolution to Water
Rain Dissolution to Soil
Aerosol Deposition to Water
Aerosol Deposition to Soil
Soil-Air Diffusion (air-phase)
Soil-Air Diffusion (water-phase)
Soil-Air Diffusion (boundary layer)
Soil-Air Diffusion (total)
Soil-Water Runoff (water)
Soil-Water Runoff (solids)
Water-Sediment Diffusion
Sediment Deposition
Sediment Resuspension

26

Environmental Fate of Test Chemical 1

Bulk Concentration (mol/m)

8.00E-04
7.00E-04
6.00E-04
5.00E-04
4.00E-04
3.00E-04
2.00E-04
1.00E-04
0.00E+00
Air

Water

Soil

Sediment

27

Environmental Fate of Test Chemical 1

LEVEL III
Emissions
1000
1000
1000
0

Air
1.00E+03

4.20E+02

Mass (kg)
% of total
Fugacity (Pa)
Conc. (g/m)

kg/h to air
kg/h to water
kg/h to soil
kg/h to sediment

4.20E+04
1.74E+00
6.19E-06
4.20E-07

5.29E+02

1.00E+03
1.00E+03

3.89E+00
3.44E+01

6.22E+01

2.71E+01

Soil

Water
2.32E+02

8.71E+02

Mass (kg)
% of total
Fugacity (Pa)
Conc. (g/m)

2.14E+06
8.86E+01
3.46E-05
1.19E-01

1.57E+02

Mass (kg)
% of total
Fugacity (Pa)
Conc. (g/m)

2.32E+05
9.63E+00
1.15E-06
1.16E-03

1.12E+00
LEGEND
Emissions (kg/h)
Advection (kg/h)
Reaction (kg/h)
Exchange (kg/h)

Total Chemical in System:

1.43E+07 mol
2.41E+06 kg
Residence Times (system)
hours
Advective
3.70E+03
Reactive
1.03E+03
Overall
8.04E+02

9.47E+02

1.39E+00
3.61E-02

days
154.1
42.8
33.5

Sediment
Mass (kg)
% of total
Fugacity (Pa)
Conc. (g/m)

1.80E+03
7.48E-02
1.09E-06
3.61E-03

2.27E-01

28