EQC

Version 2.02, Released May 2003

(Input values are in italics.)
Simulation ID: atika
Date: 04/10/2017 Time: 07.41.02
Addition Description/Comments: students

CHEMICAL NAME: DDT

CHEMICAL PARAMETERS

Chemical Properties

Chemical Type 1

Molar Mass 354 g/mol

Data Temperature 25 °C
Henry's Law Constant 8,85E+06 Pa.m³/mol
Water Solubility 1,00 g/m³ 2,82E-03 mol/m³
Vapour Pressure 25000 Pa
Log Kow 6,00
Melting Point 109 °C
Fugacity Ratio 0,148
Sub-cooled Liquid Vapour Pressure 1,69E+05 Pa

Partition Coefficients
Dimensionless L/kg
Log Octanol-Water Partition Coefficient 6,00 -
Octanol-Water Partition Coefficient 1,00E+06 -
Organic Carbon-Water Partition Coefficient - 4,10E+05
Air-Water(Kaw) 3570 -
Soil-Water 19680 8200
Sediment-Water 39360 16400
Susp. Particles-Water 1,23E+05 82000
Fish-Water(Kfw) 50000 50000
Aerosol-Air 35,4 -

Degradation

Half-lives
hours days
Air 170 7,08
Water 5500 229
Soil 17000 708
Sediment 7,00 0,292
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ENVIRONMENTAL PARAMETERS
Note: All environmental properties are set and can not be changed.
They are listed for completeness only.

Areas and Depths

Depth for Volume for

Level I and Level I and Depth for Volume for
Area Level II Level II Level III Level III
m² m m³ m m³
Air 1,00E+11 1000 1,00E+14 1000 1,00E+14
Water 1,00E+10 20,0 2,00E+11 20,0 2,00E+11
Soil 9,00E+10 0,100 9,00E+09 0,200 1,80E+10
Sediment 1,00E+10 0,0100 1,00E+08 0,0500 5,00E+08

Environmental Properties

Org. Carbon Adv. Residence Advective Flow Advective Flow

Volume Volume Density & Lipid Time Rate Level II Rate Level III
Fractions m³ kg/m³ g/g hours days m³/h m³/h
Air: Bulk - - 1,19 - 100 4,17 1,00E+12 1,00E+12
Pure Air - 1,00E+14 1,19 - - - -
Aerosol 2,00E-11 2000 2000 - - - -
Water: Bulk - - 1000 - 1000 41,7 2,00E+08 2,00E+08
Liquid - 2,00E+11 1000 - - - -
Susp.Particles 5,00E-06 1,00E+06 1500 0,200 - - -
Fish 1,00E-06 2,00E+05 1000 0,0500 - - -
Soil: Bulk - - 1500 - 0 0 - -
Air 0,200 3,60E+09 1,19 - - - -
Liquid 0,300 5,40E+09 1000 - - - -
Solid 0,500 9,00E+09 2400 0,0200 - - -
Sediment: Bulk - - 1280 - 50000 2083 2000 10000
Liquid 0,800 4,00E+08 1000 - - - -
Solid 0,200 1,00E+08 2400 0,0400 - - -

Transport Velocities
m/hour m/year
Air side air-water MTC 5,00 43830
Water side air-water MTC 0,0500 438
Rain rate 1,00E-04 0,877
Aerosol deposition velocity 6,00E-10 5,26E-06
Soil air phase diffusion MTC 0,0200 175
Soil water phase diffusion MTC 1,00E-05 0,0877
Soil air boundary layer MTC 5,00 43830
Sediment-water MTC 1,00E-04 0,877
Sediment deposition velocity 5,00E-07 4,38E-03
Sediment resuspension velocity 2,00E-07 1,75E-03
Soil water runoff rate 5,00E-05 0,438
Soil solids runoff rate 1,00E-08 8,77E-05
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EQC RESULTS: Level I

Emission 2,82E+05 mol 1,00E+05 kg

Total VZ 4,04E+10 mol/Pa
Fugacity 7,00E-06 Pa

Z Value VZ Conc. Conc. Conc. Amount Amount Amount

mol/m³Pa mol/Pa mol/m³ g/m³ µg/g of solid mol kg %
Air 4,03E-04 4,03E+10 2,82E-09 9,99E-07 - 2,82E+05 99949 99,9
Water 1,13E-07 22599 7,91E-13 2,80E-10 - 0,158 0,0560 5,60E-05
Soil 2,22E-03 2,00E+07 1,56E-08 5,51E-06 2,30E-06 140 49,6 0,0496
Sediment 4,45E-03 4,45E+05 3,11E-08 1,10E-05 4,59E-06 3,11 1,10 1,10E-03
Susp. Particles 0,0139 13898 9,73E-08 3,44E-05 2,30E-05 0,0973 0,0344 3,44E-05
Fish 5,65E-03 1130 3,95E-08 1,40E-05 1,40E-05 7,91E-03 2,80E-03 2,80E-06
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EQC RESULTS: LEVEL II

System Totals

Emission Rate 2825 mol/h 1000 kg/h

Total of VZ 4,04E+10 mol/Pa
Fugacity 4,97E-06 Pa
Total Amount of Chemical in System 2,01E+05 mol 71071 kg

Losses Losses D Values Residence Time Residence Time

mol kg mol/Pa.h hours days
Advection 2007 710 4,03E+08 100 4,17
Reaction 818 290 1,64E+08 245 10,2
Total 2825 1000 5,68E+08 71,1 2,96

Concentrations

Z Value VZ Conc. Conc. Conc. Amount Amount Amount

mol/m³.Pa mol/Pa mol/m³ g/m³ µg/g of solid mol kg %
Air 4,03E-04 4,03E+10 2,01E-09 7,10E-07 - 2,01E+05 71035 99,9
Water 1,13E-07 22599 5,62E-13 1,99E-10 - 0,112 0,0398 5,60E-05
Soil 2,22E-03 2,00E+07 1,11E-08 3,92E-06 1,63E-06 99,5 35,2 0,0496
Sediment 4,45E-03 4,45E+05 2,21E-08 7,83E-06 3,26E-06 2,21 0,783 1,10E-03
Susp. Particles 0,0139 13898 6,91E-08 2,45E-05 1,63E-05 0,0691 0,0245 3,44E-05
Fish 5,65E-03 1130 2,81E-08 9,95E-06 9,95E-06 5,62E-03 1,99E-03 2,80E-06

Losses

Advection
Residence Residence Rate of Rate of
Time Time Flow Rate D Values Loss Loss % of Total
hours days m³/h mol/Pa.h mol/h kg/h Losses
Air 100 4,17 1,00E+12 4,03E+08 2007 710 71,0
Water 1000 41,7 2,00E+08 22,6 1,12E-04 3,98E-05 3,98E-06
Soil - - - - - - -
Sediment 50000 2083 2000 8,89 4,42E-05 1,57E-05 1,57E-06
Total 71,0

Reaction
Rate Rate of Rate of
Half-life Half-life Constant D Values Loss Loss % of Total
hours days 1/h mol/Pa.h mol/h kg/h Losses
Air 170 7,08 4,08E-03 1,64E+08 818 290 29,0
Water 5500 229 1,26E-04 2,85 1,42E-05 5,01E-06 5,01E-07
Soil 17000 708 4,08E-05 816 4,06E-03 1,44E-03 1,44E-04
Sediment 7,00 0,292 0,0990 44030 0,219 0,0775 7,75E-03
Total 29,0
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EQC RESULTS: LEVEL III

Mass Balance

Emission Emission Fugacity VZ

mol/h kg/h Pa mol/Pa
Air 2825 1000 1,16E-05 4,03E+10
Water 2825 1000 16,8 37627
Soil 2825 1000 3,91E-03 2,15E+07
Sediment 0 0 0,0265 4,45E+05
Total 8475 3000

Residence Residence
Loss Rate Loss Rate Time Time
mol/h kg/h hours days
Advection 5315 1882 225 9,37
Reaction 3159 1118 378 15,8
Overall 8475 3000 141 5,88

Amount of Chemical in Environment 1,20E+06 mol 4,23E+05 kg

Phase Properties

Z Value Amount Amount Amount Conc. Conc. Conc.

mol/m³Pa mol kg % mol/m³ g/m³ µg/g of solids
Air: Bulk 4,03E-04 4,68E+05 1,66E+05 39,2 4,68E-09 1,66E-06
Vapour 4,03E-04 4,68E+05 1,66E+05 39,2 4,68E-09 1,66E-06
Aerosol 0,0143 3,32E-04 1,18E-04 2,78E-08 1,66E-07 5,88E-05 2,94E-05
Water: Bulk 1,88E-07 6,31E+05 2,23E+05 52,8 3,15E-06 1,12E-03
Liquid 1,13E-07 3,79E+05 1,34E+05 31,7 1,89E-06 6,71E-04
Susp. Part. 0,0139 2,33E+05 82505 19,5 0,233 82,5 55,0
Fish 5,65E-03 18948 6708 1,59 0,0947 33,5
Soil: Bulk 1,19E-03 83990 29732 7,03 4,67E-06 1,65E-03
Air 4,03E-04 5682 2012 0,475 1,58E-06 5,59E-04
Liquid 1,13E-07 2,39 0,845 2,00E-04 4,42E-10 1,57E-07
Solid 2,22E-03 78305 27720 6,55 8,70E-06 3,08E-03 1,28E-03
Sediment: Bulk 8,90E-04 11785 4172 0,986 2,36E-05 8,34E-03
Water 1,13E-07 1,20 0,424 1,00E-04 2,99E-09 1,06E-06
Solid 4,45E-03 11784 4172 0,986 1,18E-04 0,0417 0,0174
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Losses

Advection Residence Residence Rate of Rate of

Time Time Flow Rate D Values Loss Loss % of Total
hours days m³/h mol/Pa.h mol/h kg/h Losses
Air 100 4,17 1,00E+12 4,03E+08 4684 1658 55,3
Water 1000 41,7 2,00E+08 37,6 631 223 7,45
Soil - - - - - - -
Sediment 50000 2083 10000 8,90 0,236 0,0834 2,78E-03
Total 62,7

Reaction Half-life Half-life Rate Rate of Rate of % of Total

Time Time Constant D Values Loss Loss Losses
hours days 1/h mol/Pa.h mol/h kg/h
Air 170 7,08 4,08E-03 1,64E+08 1909 676 22,5
Water 5500 229 1,26E-04 4,74 79,5 28,1 0,938
Soil 17000 708 4,08E-05 875 3,42 1,21 0,0404
Sediment 7,00 0,292 0,0990 44034 1167 413 13,8
Total 37,3

Intermedia Transport

Half-times Equiv. Flows D Values Rates of Transport

hours days m³/h mol/Pa.h kg/h mol/h
Air to water 4,93E+08 2,05E+07 1,41E+05 56,7 2,33E-04 6,58E-04
Air to soil 38654 1611 1,79E+09 7,23E+05 2,97 8,40
Water to air 462 19,2 3,00E+08 56,5 335 947
Water to sediment 375 15,6 3,70E+08 69,6 413 1167
Soil to air 20,6 0,857 6,06E+08 7,23E+05 1002 2830
Soil to water 5,93E+06 2,47E+05 2105 2,51 3,48E-03 9,82E-03
Sediment to water 34219 1426 10126 9,01 0,0845 0,239

Process D Values

Individual mol/Pa.h Totals mol/Pa.h

Air-Water diffusion (air-side) 2,02E+07 Air-Water diffusion 56,5
Air-Water diffusion (water-side) 56,5 Air-Water exchange 56,7
Rain dissolution to water 0,113 Water-Air exchange 56,5
Rain dissolution to soil 1,02 Soil-Air diffusion 7,23E+05
Aerosol deposition to water 0,0858 Air-Soil exchange 7,23E+05
Aerosol deposition to soil 0,772 Soil-Air exchange 7,23E+05
Soil-Air diffusion (air-phase) 7,26E+05 Water-Soil exchange 0
Soil-Air diffusion (water-phase) 0,102 Soil-Water exchange 2,51
Soil-Air diffusion (boundary layer) 1,82E+08 Sediment-Water exchange 9,01
Soil-Water runoff (water) 0,508 Water-Sediment exchange 69,6
Soil-Water runoff (solids) 2,00
Water-Sediment diffusion 0,113
Water-Sediment deposition 69,5
Sediment-Water resuspension 8,89