FORMULARIUM GLOBOX 1.0
Anneke Wegener Sleeswijk & Reinout Heijungs, CML, Leiden University
27 April 2010
Table 1: Overview of chemical-dependent symbols
Symbol
Name
GENERAL PROPERTY
substype
type of substance
Unit
Diff.
Origin*
Default
– (organic, metal,
gas)
No
input
organic
input (EU2
(III-75))
metal: input
(Morel &
Hering
(1993))
metal: E
metal: G1.3
(Byrne
(1988))
metal: G1.3
(Byrne
(1988))
metal: E
–
organic:
input (SB2
(24))
organic:
50E3
PHYSICO-CHEMICAL PROPERTIES
MOLW
molecular weight
kg*mol^-1
No
CHARGE
ionic charge of metal
– (integer)
No
ACTCOEFF
FREEION5seawater
–
–
No
Yes
–
Yes
–
Yes
H_0vapor
activity coefficient of metal
fraction free ion of dissolved metal
in sea water at a temperature of 5
degrees Celcius
fraction free ion of dissolved metal
in sea water at a temperature of 25
degrees Celcius
fraction free ion of dissolved metal
in sea water at environmental
temperature
enthalpy of vaporization
J*mol^-1
No
TEMPmelt
melting point
K
No
FREEION25seawater
FREEIONseawater
1/72
metal: 2
–
–
–
–
–
Symbol
Name
Unit
Diff.
TEMPtest
K
No
VP_TEMPtest
temperature at which vapour
pressure and halflife times of
organics are given
vapour pressure at TEMPtest
Pa
No
VP
SOL
vapour pressure at TEMP
water solubility
Pa
mol*m^-3
Yes
Yes
Kow
octanol-water partition coefficient
–
No
PARTITION COEFFICIENTS
HENRY
Henry's law constant
Pa*m^3*mol^-1
Yes
air-water partition coefficient
(dimensionless Henry's law
constant)
organic carbon-water partition
coefficient
solids-water partition coefficient in
soil
–
Yes
m^3 water*kg-1
organic carbon
m^3*kg^-1
No
Kp_sed
solids-water part. coefficient in
sediment
m^3*kg^-1
Yes
Kp_susp
solids-water part. coefficient in
m^3*kg^-1
Yes
K_airwater
Koc
Kp_soil
2/72
Yes
Origin*
Default
input (EU2
(III-75))
organic:
298
input
organic:
input (EU2
(III-75))
organic: E
organic:
input
organic:
input (EU2
(III-75))
–
organic:
input (EU2
(III-75))/E
organic: E;
metal, gas:
input
organic:
input/E
organic: E;
metal, gas:
input
organic: E;
metal, gas:
input
organic: E;
–
–
–
–
metal: 0
gas: ∝
metal: 0
gas: 0
metal: 0
gas: 0
metal: 0
Symbol
Name
suspended matter
Unit
solids-water part. coefficient in
m^3*kg^-1
marine sediment
Kp_seasusp
solids-water part. coefficient in
m^3*kg^-1
marine suspended matter
PARAMETERS FOR REGIONAL AND CONTINENTAL DISTRIBUTION
Fass_aer
fraction of the chemical in air that is –
associated with aerosol particles
Yes
Origin*
metal, gas:
input
E
Yes
E
–
Yes
metal: 0.95;
gas: 0
SCAVratio
K_soilwater
Yes
Yes
organic: E;
metal, gas:
input
E
E
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Kp_seased
K_agrwater
K_nonagrwater
K_deepsoilwater
K_sedwater
K_seasedseawater
K_airagr
K_airnonagr
K_leafair
Fdiss_inlandwater
3/72
scavenging ratio of the chemical
soil-water partition coefficient in
standard soil
soil-water partition coefficient in
agricultural soil
soil-water partition coefficient in
non-agricultural soil
deep soil-water partition coefficient
–
m water^3*m wet
soil^-3
m water^3*m wet
soil^-3
m^3 water*m^-3
wet soil
m^3 water*m^-3
wet soil
sediment-water partition coefficient m^3 water*m^-3
wet sed
marine sediment-water partition
m^3 water*m^-3
coefficient
wet sed
partition coefficient between air and m^3 wet soil*m^agricultural soil
3 air
partition coefficient between air and m^3 wet soil*m^non-agricultural soil
3 air
partition coefficient between plant –
leaves and air
dissolved fraction in water column –
Diff.
Default
gas: 0
–
–
–
Symbol
Fdiss_seawater
Fdiss_soil
Fdiss_agr
Fdiss_nonagr
Fdiss_deepsoil
Fdiss_sed
Fdiss_seased
Faer_sed
Faer_seased
SALINITYcorr
Name
of inland waters
dissolved fraction in water column
of seawater
fraction present in the water phase
of (standard) soil
fraction present in the water phase
of agricultural soil
fraction present in the water phase
of non-agricultural soil
fraction present in the water phase
of the deepsoil
fraction present in the water phase
of the sediment
fraction present in the water phase
of the marine sediment
fraction of sediment compartment
that is aerated
fraction of sea sediment
compartment that is aerated
Unit
Diff.
Origin*
–
Yes
E
–
No
E
–
–
Yes
E
–
–
Yes
E
–
–
No
E
–
–
No
E
–
–
No
E
–
EU2 (III84)
0.1
m^3 aer sed*m^-3 No
sed
m^3 aer
No
seased*m^-3
seased
No
correction for salinity dependence
of degradation rates
INTERMEDIA TRANSFER PARAMETERS
DIFF_air_lake
diffusive mass flow from air to lake m^3 air*s^-1
water
DIFF_lake_air
diffusive mass flow from lake water m^3 water*s^-1
to air
DIFF_air_saltlake
diffusive mass flow from air to
m^3 air*s^-1
saltlake water
4/72
Default
0.1
0.3
Yes
E
–
Yes
E
–
Yes
E
–
Symbol
DIFF_saltlake_air
DIFF_air_seawater
DIFF_seawater_air
DIFF_air_nat
DIFF_nat_air
DIFF_air_agr
DIFF_agr_air
DIFF_air_urb
DIFF_urb_air
DIFF_lake_lakesed
DIFF_lakesed_lake
DIFF_saltlake_saltlakesed
DIFF_saltlakesed_saltlake
DIFF_seawater_seased
DIFF_seased_seawater
5/72
Name
diffusive mass flow from saltlake
water to air
diffusive mass flow from air to
seawater
diffusive mass flow from seawater
to air
diffusive mass flow from air to
natural soil
diffusive mass flow from natural
soil to air
diffusive mass flow from air to
agricultural soil
diffusive mass flow from
agriculatural soil to air
diffusive mass flow from air to
urban soil
diffusive mass flow from urban soil
to air
diffusive mass flow from lake water
to lake sediment
diffusive mass flow from lake
sediment to lake water
diffusive mass flow from saltlake
water to saltlake sediment
diffusive mass flow from saltlake
sediment to saltlake water
diffusive mass flow from seawater
to sea sediment
diffusive mass flow from sea
sediment to seawater
Unit
m^3 water*s^-1
Diff.
Yes
Origin*
E
Default
–
m^3 air*s^-1
Yes
E
–
m^3 seawater*s^- Yes
1
m^3 air*s^-1
Yes
E
–
E
–
m^3 nat*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 agr*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 urb*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3 seawater*s^- Yes
1
m^3 seased*s^-1 Yes
E
–
E
–
Symbol
ADV_air_lake
ADV_air_saltlake
ADV_air_seawater
ADV_air_nat
ADV_air_agr
ADV_air_urb
ADV_nat_river
ADV_agr_river
ADV_urb_river
ADV_nat_groundwater
ADV_agr_groundwater
ADV_urb_groundwater
ADV_river_lake
ADV_river_saltlake
6/72
Name
advective mass flow from air to lake
water
advective mass flow from air to
saltlake water
advective mass flow fromair to
seawater
advective mass flow from air to
natural soil
advective mass flow from air to
agricultural soil
advective mass flow from air to
urban soil
advective mass flow from natural
soil to river water
advective mass flow from
agricultural soil to river water
advective mass flow from urban soil
to river water
advective mass flow from natural
soil to groundwater
advective mass flow from
agricultural soil to groundwater
advective mass flow from urban soil
to groundwater
advective mass flow from river
water to lake water
advective mass flow from river
water to saltlake water
Unit
m^3 air*s^-1
Diff.
Yes
Origin*
E
Default
–
m^3 air*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 air*s^-1
Yes
E
–
m^3 nat*s^-1
Yes
E
–
m^3 agr*s^-1
Yes
E
–
m^3 urb*s^-1
Yes
E
–
m^3 nat*s^-1
Yes
E
–
m^3 agr*s^-1
Yes
E
–
m^3 urb*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
Symbol
ADV_river_river
ADV_river_seawater
ADV_river_agr
ADV_lake_river
ADV_river_outside
ADV_lake_lakesed
ADV_lake_outside
ADV_lakesed_outside
ADV_saltlake_saltlakesed
ADV_saltlakesed_saltlake
ADV_saltlakesed_outside
ADV_groundwater_agr
ADV_groundwater_river
ADV_groundwater_groundwater
7/72
Name
advective mass flow from river
water in one country to river water
in another country
advective mass flow from river
water to sea water
advective mass flow from river
water to agricultural soil
advective mass flow from lake water
to river water
advective mass flow from sediment
to outside
advective mass flow from lake water
to lake sediment
advective mass flow from lake water
to outside
advective mass flow from sediment
to outside
advective mass flow from saltlake
water to saltlake sediment
advective mass flow from saltlake
sediment to saltlake water
advective mass flow from saltlake
sediment to outside
advective mass flow from
groundwater to agricultural soil
advective mass flow from
groundwater to river water
advective mass flow from
groundwater in one country to
groundwater in another country
Unit
m^3 water*s^-1
Diff.
Yes
Origin*
E
Default
–
m^3 river*s^-1
Yes
E
–
m^3 river*s^-1
Yes
E
m^3 water*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3 water*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3 sed*s^-1
Yes
E
–
m^3
Yes
groundwater*s^-1
m^3
Yes
groundwater*s^-1
m^3
Yes
groundwater*s^-1
E
–
E
–
E
–
Symbol
ADV_groundwater_seawater
ADV_seawater_seawater
ADV_seawater_seased
ADV_seased_seawater
ADV_seawater_outside
ADV_seased_outside
EXPOSURE DATA
BCF_fish
BCFsoil_leafcrops
BCFair_leafcrops
BCF_rootcrops
8/72
Name
advective mass flow from
groundwater to seawater
advective mass flow from seawater
in one sea to seawater in another sea
advective mass flow from seawater
to sea sediment
advective mass flow from sea
sediment to seawater
advective mass flow from seawater
to outside
advective mass flow from sea
sediment to outside
Unit
m^3
groundwater*s^-1
m^3 seawater*s^1
m^3 seawater*s^1
m^3 seased*s^-1
Diff.
Yes
Origin*
E
Default
–
Yes
E
–
Yes
E
–
Yes
E
–
m^3 seawater*s^- Yes
1
m^3 seased*s^-1 Yes
E
–
E
–
bioconcentration factor from fresh
water to fish
(mg chem*kg^-1 No
wet fish)/(mg
chem*m^-3 water)
organic:E
or input
metal, gas:
input
organic:E
or input
metal, gas:
input
gas: 0
organic,
metal: E or
input
gas: input
organic:E
or input
metal, gas:
input
gas: 0
bioconcentration factor from soil to (mg chem*kg^-1
leaf crops
wet leaf
crops)/(mg
chem*kg wet
soil^-1)
bioconcentration factor from air to (mg chem*kg^-1
leaf crops
wet leaf
crops)/(mg
chem*m^-3 air)
bioconcentration factor from soil to (mg chem* kg^-1
root crops
wet root
crops)/(mg
chem*kg^-1 wet
No
No
No
gas: 0
gas: 0
Symbol
Name
Unit
soil)
(mg chem*kg^-1
meat)/(mg
chem*d^-1)
Diff.
Origin*
Default
BCF_meat
BCF from daily intake of cattle to
cattle meat
No
gas: 0
BCF from daily intake of cattle to
milk
(mg chem*kg^-1
milk)/(mg
chem*d^-1)
No
–
No
BIO_inh
respirable fraction of inhaled
substance
bioavailability for inhalation
–
No
BIO_oral
bioavailability for oral exposure
–
No
organic:E
or input
metal, gas:
input
organic:E
or input
metal, gas:
input
input/EU2
(III-137)
input/EU2
(III-137)
input/EU2
(III-137)
BCF_milk
F_resp
DISAPPEARANCE RATES
DT50photo_air
half-life for photodegradation in air s
No
DT50bio_freshwater_TEMPtest
half-life for biodegradation in water s
at TEMPtest
No
DT50bio_freshwater
half-life for biodegradation in rivers s
and freshwater lakes
half-life for biodegradation in
s
saltlakes
half-life for biodegradation in
s
seawater at TEMPtest
Yes
organic, gas: organic:
input
160*24*3600
gas, metal: ∝
organic:
gas, metal: ∝
input/E
gas: input
E
Yes
E
E
No
organic:
input/E
gas: input
E
gas, metal: ∝
DT50bio_saltlake
DT50bio_seawater_TEMPtest
DT50bio_seawater
9/72
half-life for biodegradation in
s
Yes
gas: 0
1
0.75
1
Symbol
Name
seawater
half-life for abiotic degradation in
sediment
half-life for aerobic biodegradation
in sediment at TEMPtest
Unit
Diff.
Origin*
s
No
s
No
half-life for aerobic biodegradation
in sediment
half-life for anaerobic
biodegradation in sediment
half-life for abiotic degradation in
saltlake sediment
half-life for aerobic biodegradation
in saltlake sediment
s
Yes
organic, gas: ∝
input
organic:
gas, metal: ∝
input/E
gas: input
E
s
No
s
No
s
No
half-life for anaerobic
biodegradation in saltlake sediment
half-life for abiotic degradation in
sea sediment
half-life for aerobic biodegradation
in water at TEMPtest
s
No
s
No
s
No
DT50aerbio_seased
half-life for aerobic biodegradation
in sea sediment
s
No
DT50anaerbio_seased
half-life for anaerobic
biodegradation in sea sediment
half-life for abiotic degradation in
soil
half-life for biodegradation in
s
No
s
No
s
No
DT50abio_sed
DT50aerbio_sed_TEMPtest
DT50aerbio_sed
DT50anaerbio_sed
DT50abio_saltlakesed
DT50aerbio_saltlakesed
DT50anaerbio_saltlakesed
DT50abio_seased
DT50aerbio_seased_TEMPtest
DT50abio_soil
DT50bio_soil_TEMPtest
10/72
organic, gas:
input
organic, gas:
input
organic:
input or E
gas: input
organic, gas:
input
organic, gas:
input or E
organic:
input/E
gas: input
organic:
input or E
gas: input
organic, gas:
input
organic, gas:
input
organic:
Default
∝
gas, metal: ∝
∝
gas, metal: ∝
gas, metal: ∝
∝
∝
gas, metal: ∝
Symbol
Name
(standard) soil at TEMPtest
Unit
Diff.
DT50bio_soil
half-life for biodegradation in
(standard) soil
s
Yes
DT50bio_agr
half-life for biodegradation in
agricultural soil
s
Yes
DT50bio_nonagr
half-life for biodegradation in nonagricultural soil
s
Yes
DT50hydro_water_TEMPtest
half-life for hydrolysis in water at
TEMPtest
half-life for hydrolysis in water
half-life for photolysis in water
s
No
s
s
Yes
No
result of OECD/EU standardised
biodegradability tests
result of OECD/EU standardised
biodegradability tests
result of OECD/EU standardised
biodegradability tests
specific degradation rate constant
for reaction with OH-radicals
(yes/no)
pseudo first rate constant for
degradation in air
pseudo first order rate constant for
biodegradation in rivers and
freshwater lakes
DT50hydro_water
DT50photo_water
readily_biodegradable
fulfilling_10d_window
inherently_biodegradable
krad_OH
kdeg_air
kbio_freshwater
11/72
Default
No
Origin*
input/E
gas: input
organic:
input/E
gas: input
organic:
input/E
gas: input
organic:
input/E
gas: input
organic, gas:
input
E
organic, gas:
input
input
(yes/no)
No
input
‘no’
(yes/no)
No
input
‘yes’
s^-1
No
s^-1
Yes
organic, gas: –
input or E
metal: 0
input or E –
s^-1
Yes
E
gas, metal: ∝
gas, metal: ∝
gas, metal: ∝
∝
∝
‘no’
–
Symbol
kbio_saltlake
kbio_seawater
khydro_inlandwater
khydro_seawater
kphoto_water
kdeg_freshwater
kdeg_saltlake
kdeg_seawater
kaerbio_sed
kaerbio_saltlakesed
kaerbio_seased
kanaerbio_sed
kanaerbio_saltlakesed
12/72
Name
pseudo first order rate constant for
biodegradation in saltlakes
pseudo first order rate constant for
marine biodegradation
pseudo first order rate constant for
hydrolysis in inland water
pseudo first order rate constant for
hydrolysis in seawater
pseudo first order rate constant for
photolysis in surface water
pseudo first order degradation rate
constant in inland waters
pseudo first order degradation rate
constant in inland waters
pseudo first order degradation rate
constant in sea water
pseudo first order for aerobic
biodegradation rate constant in
sediment
pseudo first order for aerobic
biodegradation rate constant in
saltlake sediment
pseudo first order for aerobic
biodegradation rate constant in sea
sediment
pseudo first order for anaerobic
biodegradation rate constant in
sediment
pseudo first order for anaerobic
biodegradation rate constant in
Unit
s^-1
Diff.
Yes
Origin*
E
Default
–
s^-1
Yes
E
–
s^-1
Yes
E
–
s^-1
Yes
E
–
s^-1
No
E
–
s^-1
No
E
–
s^-1
No
E
–
s^-1
Yes
E
–
s^-1
No
E
s^-1
No
E
s^-1
No
E
s^-1
No
E
s^-1
No
E
Symbol
kanaerbio_seased
kabio_sed
kabio_saltlakesed
kabio_seased
kdeg_sed
kdeg_saltlakesed
kdeg_seased
kbio_agr
kbio_nonagr
kabio_soil
kdeg_agr
kdeg_nonagr
PURFsurfacew
13/72
Name
slatlake sediment
pseudo first order for anaerobic
biodegradation rate constant in sea
sediment
pseudo first order for abiotic
degradation rate constant in
sediment
pseudo first order for abiotic
degradation rate constant in saltlake
sediment
pseudo first order for abiotic
degradation rate constant in sea
sediment
pseudo first order degradation rate
constant in sediment
pseudo first order degradation rate
constant in marine sediment
pseudo first order degradation rate
constant in marine sediment
pseudo first order biodegradation
rate constant in agricultural soil
pseudo first order biodegradation
rate constant in non-agricultural soil
pseudo first order abiotic
degradation rate constant in soil
pseudo first order degradation rate
constant in agricultural soil
pseudo first order degradation rate
constant in non-agricultural soil
purification factor for surface water
Unit
Diff.
Origin*
Default
s^-1
No
E
s^-1
No
E
s^-1
No
E
s^-1
Yes
E
s^-1
No
E
–
s^-1
No
E
–
s^-1
No
E
–
s^-1
Yes
E
s^-1
Yes
E
s^-1
No
E
s^-1
Yes
E
–
s^-1
Yes
E
–
–
No
E
–
Symbol
PURFgroundw
PURFsys1
PURFsys2
fac1a
fac1b
fac1c
fac2a
fac2b
fac2c
Name
purification factor for groundwater
purification factor for system 1
purification factor for system 2
Kow-dependent partial purification
factor for system 1
Henry-coefficient-dependent partial
purification factor for system 1
aerobic-degradation-half-lifedependent partial purification factor
for system 1
Kow-dependent partial purification
factor for system 2
Henry-coefficient-dependent partial
purification factor for system 2
aerobic-degradation-half-lifedependent partial purification factor
for system 2
Unit
–
–
–
–
Diff.
No
No
No
No
Origin*
E
E
E
E
Default
–
–
–
–
–
No
E
–
–
No
E
–
–
No
E
–
–
No
E
–
–
No
E
–
*Legend: D = chemical data set; E = GLOBOX equation (in formularium); G1.1 = GLOBACK part 1, sheet ‘countries’; G1.2 =
GLOBACK part 1, sheet ‘seas’; U1 = USES 1.0 (+ page number); U2 = USES 2.0 (+ page number); EU1 = EUSES 1.00 (+ page
number); EU II = EUSES 2.0 (+ page number); SB2 = SimpleBox 2.0 (+ page number); input = to be provided by the user; references:
sea reference list below.
14/72
Table 2: Overview of chemical-independent symbols
Symbol
Name
MEDIA CHARACTERISTICS
RHO_air
density of air
RHO_water
density of water
RHO_solid
density of solid phase
RHO_soil
wet bulk density of (standard)
soil
wet bulk density of agricultural
soil
wet bulk density of nonagricultural soil
volume fraction of air in
(standard) soil
volume fraction of air in
agricultural soil
volume fraction of air in natural
soil
volume fraction of porewater in
(standard) soil
volume fraction of porewater in
agricultural soil
volume fraction of porewater in
non-agricultural soil
volume fraction of porewater in
deep soil
volume fraction of porewater in
RHO_agr
RHO_nonagr
Fair_soil
Fair_agr
Fair_nonagr
Fwater_soil
Fwater_agr
Fwater_nonagr
Fwater_deepsoil
Fwater_sed
15/72
Unit
Diff.
Origin*
Default
kg air*m^-3 air
kg water*m^-3
water
kg solid*m^-3
solid
kg wet soil*m^-3
soil
kg wet soil*m^-3
soil
kg wet soil*m^-3
soil
m^3 air*m^-3 soil
No
No
EU2 (III-76) 1.3
EU2 (III-76) 1000
No
EU2 (III-76) 2500
Yes
E
–
Yes
E
–
Yes
E
–
No
EU2 (III-76) 0.2
m^3 air*m^-3 soil Yes
G1.1
–
m^3 air*m^-3 soil Yes
G1.1
–
m^3 water*m^-3
soil
m^3 water*m^-3
soil
m^3 water*m^-3
soil
m^3 water*m^-3
soil
m^3 water*m^-3
No
EU2 (III-76) 0.2
Yes
G1.1
–
Yes
G1.1
–
No
GLOBOX
0.2
assumption
EU2 (III-76) 0.8
No
Symbol
Fwater_susp
Fwater_bio
Fsolid_soil
Fsolid_agr
Fsolid_nonagr
Fsolid_deepsoil
Fsolid_sed
Fsolid_susp
Fsolid_runoff
Foc_soil
Foc_sed
Foc_seased
Foc_susp
Foc_seasusp
OHCONC_air
16/72
Name
sediment
volume fraction of water in
suspended matter
volume fraction of water in
aquatic biota
volume fraction of solids in
(standard) soil
volume fraction of solids in
agricultural soil
volume fraction of solids in nonagricultural soil
volume fraction of solids in deep
soil
volumefraction solids in
sediment
volumefraction solids in
suspended matter in fresh water
volume fraction solids in soil
runoff water
weight fraction organic carbon in
soil
weight fraction organic carbon in
freshwater sediment
weight fraction organic carbon in
marine sediment
weight fraction organic carbon in
suspended matter
weight fraction organic carbon in
marine suspended matter
concentration of hydroxyl
Unit
sed
m^3 water*m^-3
susp
m^3 water*m^-3
biota
m^3 solids*m^-3
soil
m^3 solids*m^-3
soil
m^3 solids*m^-3
soil
m^3 solids*m^-3
soil
m^3 solids*m^-3
sed
m^3 solids*m^-3
susp
m^3 solids*m^-3
water
kg oc*kg^-1 solid
Diff.
Origin*
Default
No
EU2 (III-76) 0.9
No
U1 (297)
No
EU2 (III-76) 0.6
Yes
E
–
Yes
E
–
No
E
–
No
E
–
No
E
–
Yes
G1.1
–
Yes
G1.1
–
kg oc*kg^-1 solid
Yes
G1.1
–
kg oc*kg^-1 solid
Yes
G1.2
–
kg oc*kg^-1 solid
Yes
land: G1.1
–
kg oc*kg^-1 solid
Yes
G1.2
–
molecules*m^-3
Yes
land: G1.1
–
0.95
Symbol
Name
radicals in air
concentration of hydroxyl
radicals in air
concentration of biota in inland
water
volume fraction of suspended
matter in river and lake water
concentration of suspended
matter in river and lake water
volume fraction of suspended
matter in seawater
concentration of suspende matter
in sea water
specific surface area of aerosol
particles
constant of Junge equation
Unit
Diff.
molecules*m^-3
No
kg wwt*m^-3
COLLECTeff
RESTIME_lake
EVAPrate_lake
OHCONCref_air
BIOCONC_water
SUSPFRACTION_inlandwater
SUSPCONC_inlandwater
SUSPFRACTION_seawater
SUSPCONC_seawater
SURFaer
CONjunge
EVAP_lake
EVAP_saltlake
RAINDIRECT_lake
17/72
Default
No
Origin*
seas: G1.2
value for
Europe
EU2 III-99
–
Yes
G1.1
–
kg solids*m^-3
water
–
Yes
E
–
Yes
G1.2
–
kg solids*m^-3
water
m^2*m^-3
Yes
E
–
No
EU2 III-76
5.88E–4
Pa*m
No
aerosol collection efficiency
residence time of water in
freshwater lakes
–
s
No
Yes
evaporation rate from freshwater
lakes and salt lakes
evaporation of water from
freshwater lakes
evaporation of water from salt
lakes
direct precipitation on lake
surface
m*s-1
Yes
Noordijk & 0.17
De Leeuw,
1991
EU2 III-99 2E5
G1.1;
Shiklomanov
’03
G1.1
–
m^3*s-1
Yes
E
–
m^3*s-1
Yes
G1.1
–
m^3*s-1
Yes
E
–
10.5E11
0.001
Symbol
RAINDIRECT_saltlake
PLANT-SPECIFIC PARAMETERS
Fwater_plant
Flipid_plant
Fair_plant
RHO_plant
AREA_plant
g_plant
V_leaf
Qtransp
b
kgrowth_plant
kmetab_plant
kphoto_plant
kelim_plant
TSCF
K_plantwater
CLIMATIC PARAMETERS
TEMP
18/72
Name
precipitaion on saltlake surface
Unit
m^3*s-1
Diff.
Yes
Origin*
E
volume fraction of water in plant
tissue
volume fraction of lipids in plant
tissue
volume fraction of air in plant
tissue
bulk density of plant tissue
m^3 water*m^-3
plant
m^3 lipids*m^-3
plant
m^3 air*m^-3
plant
kg plant*m^-3
plant
m^2
m*s^-1
m^3
m^3*s^-1
-
No
EU2 III-129 0.65
No
EU2 III-129 0.01
No
EU2 III-129 0.3
No
EU2 III-129 700
No
No
No
No
No
EU2 III-129
EU2 III-129
EU2 III-129
EU2 III-129
EU2 III-129
s^-1
No
EU2 III-129 0.035/(24*3600)
s^-1
No
EU2 III-129 0
s^-1
No
EU2 III-129 0
s^-1
No
E
–
–
No
E
–
–
No
E
–
K
Yes
land: G1.1
–
leaf surface area
conductance
shoot volume
transpiration stream
correction exponent for
differences between plant lipids
and octanol
growth-rate constant for dilution
by growth
pseudo-first-order rate constant
for metabolism in plants
pseudo-first-order rate constant
for photodegradatio in plants
pseudo-first-order rate constant
for elimination in plants
transpiration-stream
concentration factor
plant-water partition coefficient
average environmental
Default
–
5
0.001
0.002
1E-3/(24*3600)
0.95
Symbol
WINDSPEED
RAINRATE
RAINDAYS
Ftime_rain
FROSTMONTHS
Ftime_frost
DIMENSIONAL PARAMETERS
SYSTEMAREA
Farea_seaice
Farea_agr
Farea_nat
Farea_urb
Friver_frozen
MIXDEPTH_lake
MIXDEPTH_seawater
TOTALDEPTH_lake
19/72
Name
temperature
average wind speed 10 m above
the surface
average annual precipitation
Unit
Diff.
Origin*
seas: G1.2
land: G1.1
Default
m*s^-1
Yes
m*s^-1
Yes
–
Yes
land: G1.1
seas: G1.2
land: G1.1
average number of days per year
with a rainfall of more than 1
mm
fraction of time with
precipitation #Olivier#
average number of months per
year with an average temperature
below zero
fraction of time with
temperatures below zero
d*yr^-1
–
Yes
E
–
month*yr^-1
Yes
land: G1.1
seas: 0
–
Yes
land: E
–
total area of the system
m^2
Yes
–
fraction of sea that is covered by
ice
fraction of area that is agricultural
soil
fraction of area that is natural soil
fraction of area that is urban soil
fraction of river water that is
frozen
mixing depth of freshwater lakes
mixing depth of the sea
compartment
total depth of freshwater lakes
–
Yes
land: G1.1
seas: G1.2
seas: G1.2
–
Yes
land: G1.1
–
–
–
–
Yes
Yes
Yes
land: G1.1
land: G1.1
land: G1.1
–
–
m
m
Yes
Yes
land: G1.1
seas: G1.2
–
–
m
Yes
land: G1.1
–
seas: 9
seas: 250
–
Symbol
TOTALDEPTH_saltlake
HEIGHT_air
Name
total depth of saltlakes
atmospheric mixing height
Unit
m
m
Diff.
Yes
Yes
DEPTH_sed
mixing depth of the sediment
compartment
mixing depth of the
compartment of agricultural soil
mixing depth of the
compartments of natural and
urban soil
mixing depth of the
compartment groundwater
area of compartment lake
area of freshwater lake that are
not fully mixed
area of compartment saltlake
area of compartment lake
sediment
area of compartment saltlake
sediment
area of compartment sea
sediment
area of compartment natural soil
area of compartment agricultural
soil
area of compartment urban soil
area that is covered by ice
volume of compartment air
volume of compartment river
volume of compartment
m
No
Origin*
land: G1.1
land: G1.1
seas: G1.2
EU2 III-100
m
No
EU2 III-101 0.2
m
Yes
G1.1
–
m
No
100
m^2
m^2
Yes
Yes
GLOBOX
assumption
G1.1
land: G1.1
m^2
m^2
Yes
Yes
G1.1
G1.1
m^2
Yes
E
m^2
Yes
G1.2
m^2
m^2
Yes
Yes
E
E
m^2
m^2
m^3
m^3
m^3
Yes
Yes
Yes
Yes
Yes
E
G1.1
E
G1.1
E
DEPTH_agr
DEPTH_nonagr
DEPTH_groundwater
AREA_lake
AREA_deeplake
AREA_saltlake
AREA_lakesed
AREA_saltlakesed
AREA_seased
AREA_nat
AREA_agr
AREA_urb
AREA_landice
V_air
V_river
V_lake
20/72
Default
–
–
0.03
–
Symbol
V_saltlake
V_seawater
V_lakesed
V_saltlakesed
V_seased
V_agr
V_nat
V_urb
V_groundwater
DISTRIBUTION PARAMETERS
AEROSOLDEPRATE
GASABS_water
VOLAT_inlandwater
VOLAT_seawater
GASABS_nat
21/72
Name
freshwater lake
volume of compartment saltlake
volume of compartment seawater
volume of compartment lake
sediment
volume of compartment saltlake
sediment
volume of compartment
seasediment
volume of compartment
agricultural soil
volume of compartment natural
soil
volume of compartment urban
soil
volume of compartment
groundwater
Unit
Diff.
Origin*
m^3
m^3
m^3
Yes
Yes
Yes
E
E
E
m^3
Yes
E
m^3
Yes
E
m^3
Yes
E
m^3
Yes
E
m^3
Yes
E
m^3
Yes
E
deposition velocity of the aerosol
particles
overall mass transfer coefficient
for gas absorption across the airwater interface
overall mass transfer coefficient
for volatilisation across the airwater interface of inland water
overall mass transfer coefficient
for volatilisation across the airwater interface of sea water
overall mass transfer coefficient
m*s^-1
Yes
m air*s^-1
Yes
land: G1.1
seas: G1.2
E
m water*s^-1
Yes
E
m seawater*s^-1
Yes
E
m air*s^-1
Yes
E
Default
Symbol
GASABS_agr
GASABS_urb
VOLAT_nat
VOLAT_agr
VOLAT_urb
DRYDEP_aer
WASHOUT
LEACH_agr
22/72
Name
for gas absorption across the
interface between air and natural
soil
overall mass transfer coefficient
for gas absorption across the
interface between air and
agricultural soil
overall mass transfer coefficient
for gas absorption across the
interface between air and urban
soil
overall mass transfer coefficient
for volatilisation across the
interface between air and natural
soil
overall mass transfer coefficient
for volatilisation across the
interface between air and
agricultural soil
overall mass transfer coefficient
for volatilisation across the
interface between air and urban
soil
mass transfer coefficient for dry
deposition of aerosol-associated
chemical
mass transfer coefficient for wet
atmospheric deposition
mass transfer coefficient for
leaching from agricultural soil
Unit
Diff.
Origin*
m air*s^-1
Yes
E
m air*s^-1
Yes
E
m soil*s^-1
Yes
E
m soil*s^-1
Yes
E
m soil*s^-1
Yes
E
m air*s^-1
Yes
E
m water*s^-1
Yes
E
m soil*s^-1
Yes
E
Default
Symbol
LEACH_nonagr
ADSORB_sed
ADSORB_seased
DESORB_sed
DESORB_seased
PRODratesusp_inlandwater
PRODratesusp_seawater
PRODsusp_saltlake
PRODsusp_seawater
riverinflow_solid
riveroutflow_solid
23/72
Name
mass transfer coefficient for for
leaching from non-agricultural
soil
overall mass transfer coefficient
for adsorption across the
sediment-water interface
mass transfer coefficient for
adsorption across the sea
sediment-water interface
mass transfer coefficient for
desorption across the sedimentwater interface
mass transfer coefficient for
desorption across the sea
sediment-water interface
rate of production of suspended
matter in the water column of
inland water per unit area
rate of production of suspended
matter in the sea water column
per unit area
rate of production of suspended
matter in the water column of
saltlakes
rate of production of suspended
matter in the sea water column
inflow of suspended solids into
the river compartment
outflow of suspended solids out
of the river compartment
Unit
m soil*s^-1
Diff.
Yes
Origin*
E
m water*s^-1
Yes
E
m seawater*s^-1
Yes
E
m sed*s^-1
Yes
E
m seased*s^-1
Yes
E
Default
kg solid*m^2*s^-1 No
SB2 (54)
10/(1000*365*24*3600)
kg solid*m^2*s^-1 No
SB2 (54)
1/(1000*365*24*3600)
kg solid*s^-1
Yes
E
kg solid*s^-1
Yes
E
kg solid*s^-1
Yes
E
kg solid*s^-1
Yes
E
Symbol
NETsedrate_saltlake
NETsedrate_seawater
GROSSsedrate_saltlake
GROSSsedrate_seawater
sedrate_inlandwater
sedrate_seawater
RESUSPrate_saltlake
RESUSPrate_seawater
SETTLvelocity_susp
MTC_seadeepsea
Finf_soil
WATERrunoff
EROSION_nat
EROSION_agr
EROSION_urb
RUNOFF_nat
RUNOFF_agr
RUNOFF_urb
kaw_air
24/72
Name
net sedimentation rate in saltlakes
net marine sedimentation rate
gross sedimentation rate in
saltlakes
gross marine sedimentation rate
settling rate of suspended solids
in inland water
settling rate of suspended solids
in sea water
resuspension rate in saltlakes
resuspension rate in sea
settling velocity of the suspended
particles in water
fraction of rain water that
infiltrates into soil
total water runoff from soil into
the water compartment
erosion rate of natural soil
erosion rate of agricultural soil
erosion rate of urban soil
rainwater run-off from natural
soil
rainwater run-off from
agricultural soil
rainwater run-off from urban soil
partial mass transfer coef. at the
air side of the air-water interface
Unit
m sed*s^-1
m sed*s^-1
m sed*s^-1
Diff.
Yes
Yes
Yes
Origin*
E
E
E
Default
m sed*s^-1
m sed*s^-1
Yes
Yes
E
E
m sed*s^-1
Yes
E
m sed*s^-1
m sed*s^-1
m water*s^-1
Yes
Yes
No
E
E
EU2 III-100 2.5/(24*3600)
m seawater*s^-1
–
No
Yes
E
E
m^3*s^-1
Yes
E
m soil*s^-1
m soil*s^-1
m soil*s^-1
m soil*s^-1
Yes
Yes
Yes
Yes
E
E
E
E
m soil*s^-1
Yes
E
m soil*s^-1
m air*s^-1
Yes
Yes
E
EU2 III-108
Symbol
kaw_water
Name
partial mass transfer coef. at the
water side of the air-water
interface
kasl_air
partial mass transfer coef. at the
air-side of the air-soil interface
kasl_soilair
partial mass transfer coef. at the
soilair-side of the air-soil
interface
kasl_soilwater
partial mass transfer coef. at the
soilwater-side of the air-soil
interface
kws_water
partial mass transfer coeff. at the
water-side of the sediment-water
interface
kws_sed
partial mass transfer coeff. at the
porewater-side of the sedimentwater interface
INTRAMEDIUM EXCHANGE PARAMETERS
FLOW_river_river(i,j)
river flows from region i to
region j
Unit
m water*s^-1
Diff.
Yes
Origin*
Default
EU2 III-108
m air*s^-1
Yes
EU2 III-101 90.5/(24*3600)
m air*s^-1
Yes
G1.1
m air*s^-1
No
EU1 III-40
5.56E-10
m water*s^-1
No
EU1 III-40
0.01/3600
m porewater*s^-1 No
EU1 III-40
0.0001/3600
m^3 water*s^-1
Yes
FLOW_groundwater_groundwater(i,j)
m^3 water*s^-1
Yes
land, to
countries:
G2.5
land, to
regions: G2.6
land: G2.8
groundwater flows from region i
to region j
FLOW_seawater_seawater(i,j)
sea water flows from region i to
region j
INTERMEDIUM EXCHANGE PARAMETERS
FLOW_soil_groundwater
waterflows from soil to
groundwater
25/72
m^3 seawater*s^-1 Yes
seas: G2.9
m^3 water*s^-1
land: G1.1
Yes
Symbol
FLOW_river_lake
FLOW_river_saltlake
FLOW_river_agr
Name
waterflows from river to lake
waterflows from river to saltlake
waterflows from river to
agricultural soil
waterflows from river in region i
to seawater in region j
waterflows from lake to river
waterflows from groundwater to
river
waterflows from groundwater to
agricultural soil
waterflows from groundwater in
regioni to seawater in region j
Unit
m^3 water*s^-1
m^3 water*s^-1
m^3 water*s^-1
Diff.
Yes
Yes
Yes
Origin*
E
E
G1.1
m^3 water*s^-1
Yes
G1.1
m^3 water*s^-1
m^3 water*s^-1
Yes
Yes
E
land: G1.1
m^3 water*s^-1
Yes
land: G1.1
m^3 water*s^-1
Yes
land: G1.1
EXPOSURE PARAMETERS
ICdwt_soil
daily intake of soil by cattle
kg dry soil*d^-1
No
ICdwt_grass
daily intake of grass by cattle
kg dry plant*d^-1
No
IC_air
daily intake of air by cattle
m^3 air*d^-1
No
CONVgrass
conversion dry to fresh weight
plants
CONVagr
conversion dry to total
agricultural soil
fraction of drinking water that is
safe
fraction of safe drinking water
that is groundwater
production of marine fish
kg fresh
No
plant*kg^-1 dry
plant
kg wet soil*kg ^-1 Yes
solid
–
Yes
EU2 (III134)
EU2 (III134)
EU2 (III134)
EU2 (III134)
FLOW_river_seawater(i,j)
FLOW_lake_river
FLOW_groundwater_river
FLOW_groundwater_agr
FLOW_groundwater_seawater(i,j)
Fdrw_safe
Fdrw_grw
CATCH_seafish
26/72
E
land: G1.1
–
Yes
land: G1.1
kg*s-1
Yes
seas: G1.2
Default
0.41
16.9
122
4
Symbol
IH_drw
IH_freshwaterfish
IH_seafish
IH_leafcrops
IH_rootcrops
IH_meat
IH_dairy
IH_air
PROD_freshwaterfish
PROD_leafcrops
PROD_rootcrops
PROD_meat
PROD_dairy
IMPORT_freshwaterfish
IMPORT_leafcrops
IMPORT_rootcrops
IMPORT_meat
IMPORT_dairy
EXPORT_freshwaterfish
EXPORT_leafcrops
EXPORT_rootcrops
27/72
Name
daily intake of drinking water
daily intake of freshwater fish
Unit
m^3 drw*d^-1
kg fresh[water]
fish*d^-1
daily intake of marine fish
kg marine fish*d^1
daily intake of leaf crops
kg leaf crops*d^-1
daily intake of root crops
kg root crops*d^1
daily intake of meat
kg meat*d^-1
daily intake of dairy products
kg dairy*d^-1
daily ventilation rate
m^3 air*d^-1
production of freshwater fish
kg freshwater
fish*d^-1
production of leaf crops [1.1.BW] kg leaf crops*d^-1
production of root crops
kg root crops*d^[1.1.BX]
1
production of meat [1.1.BY]
kg meat*d^-1
production of dairy [1.1.BZ]
kg dairy*d^-1
import of freshwater fish
kg freshwater
[1.1.CG]
fish*d^-1
import of leaf crops [1.1.CC]
kg leaf crops*d^-1
import of root crops [1.1.CD]
kg root crops*d^1
import of meat [1.1.CE
kg meat*d^-1
import of dairy [1.1.CF]
kg dairy*d^-1
export of freshwater fish
kg freshwater
[1.1.CM]
fish*d^-1
export of leaf crops [1.1.CI]
kg leaf crops*d^-1
export of root crops [1.1.CJ]
kg root crops*d^1
Diff.
Yes
Yes
Origin*
land: G1.1
land: G1.1
Default
Yes
land: G1.1
0.011
Yes
Yes
land: G1.1
land: G1.1
Yes
Yes
Yes
Yes
land: G1.1
land: G1.1
land: G1.1
land: G1.1
Yes
Yes
land: G1.1
land: G1.1
Yes
Yes
Yes
land: G1.1
land: G1.1
land: G1.1
Yes
Yes
land: G1.1
land: G1.1
Yes
Yes
Yes
land: G1.1
land: G1.1
land: G1.1
Yes
Yes
land: G1.1
land: G1.1
1E–3
Symbol
EXPORT_meat
EXPORT_dairy
DOSE_air
DOSE_drw
DOSE_leafcrops
DOSE_rootcrops
DOSE_freswaterfish
DOSE_seafish
DOSE_meat
DOSE_dairy
DOSE_totaloral
DOSE_total
INTAKE_drw[NIEUW]
INTAKE_leafcrops
INTAKE_rootcrops
INTAKE_freshwaterfish
INTAKE_seafish
INTAKE_meat
INTAKE_dairy
28/72
Name
export of meat [1.1.CK]
export of dairy [1.1.CL]
human dose, caused by inhalation
Unit
kg meat*d^-1
kg dairy*d^-1
kg chem*kg^-1
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
drinking water
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
leaf crops
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
root crops
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
freshwater fish
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
marine fish
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
meat, meat products and eggs
BW*d^-1
human dose, caused by intake of kg chem*kg^-1
dairy products
BW*d^-1
total human dose, caused by oral kg chem*kg^-1
intake
BW*d^-1
total human dose
kg chem*kg^-1
BW*d^-1
intake through drinking water
kg chem*d^-1
intake through leaf crops
kg chem*d^-1
intake through root crops
kg chem*d^-1
intake through freshwater fish
kg chem*d^-1
intake through marine fish
kg chem*d^-1
intake through meat, meat
kg chem*d^-1
products and eggs
intake through dairy products
kg chem*d^-1
Diff.
Yes
Yes
Yes
Origin*
land: G1.1
land: G1.1
E
Yes
E
Yes
E
Yes
E
Yes
E
Yes
E
Yes
E
Yes
E
Yes
E
Yes
E
No
No
No
No
No
No
E
E
E
E
E
E
No
E
Default
Symbol
INTAKE_totaloral
INTAKE_air
INTAKE_total
iF
iFtot
BW
Npop
BORDER
BORDERLENGTH
BORDERHEIGHT_air(i,j)
BORDERWINDSPEED
EMISSION
to_air
to_nat
to_agr
to_urb
to_river
to_lake
to_saltlake
to_seawater
BALANCE EQUATIONS
29/72
Name
intake through oral intake
intake through inhalation
intake through oral intake and
inhalation
intake fraction
total intake fraction
average human body weight
[1.1.BL]
population [1.1.BI]
Unit
kg chem*d^-1
kg chem*d^-1
kg chem*d^-1
Diff.
No
No
No
Origin*
E
E
E
–
–
kg
Yes
No
Yes
E
E
G1.1
–
Yes
land: G1.1
length of boundary with
neighbouring countries or seas
[2.2; 2.3; 2.4]
m
Yes
height of air mixing layer at
boundarybetween region i and j
windspeed at border between
region i and j
m
Yes
land/land:
G2.2
sea/sea:
G2.3
land/sea:
G2.4
E
m*s^-1
Yes
E
emission to air
emission to natural soil
emission to agricultural soil
emission to urban soil
emission to river water
emission to lake water
emission to saltlake water
emission to seawater
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
kg chem*s^-1
Yes
Yes
Yes
Yes
Yes
Yes
Yes
Yes
input
input
input
input
input
input
input
input
Default
0
0
0
0
0
0
0
0
Symbol
V(i)
ADV(i,j)
DIFF(i,j)
kdeg(i)
ADV_outside(i)
EMIS(i)
Abig(i,j)
CONC(i)
MASS(i)
CONCENTRATIONS
C_air
C_river
C_lake
C_lakesed
C_saltlake
C_saltlakesed
30/72
Name
volume of regcomp i
advective mass flow from
regcomp i to regcomp j (within
one region)
diffusive mass flow from
regcomp i to regcomp j within
one region, or within one
compartment
pseudo first rate constant for
degradation in regcomp i
advective mass flow from
regcomp i to outside
emission flow to regcomp i
fate matrix
steady-state concentration in
regcomp i
steady-state mass amount in
regcomp i
Unit
m^3
m^3*s^-1
Diff.
Yes
Yes
Origin*
E
E
m^3*s^-1
Yes
E
s^-1
Yes
E
m^3*s^-1
Yes
E
kg*s^-1
m^3*s^-1
kg*m^-3
Yes
Yes
Yes
E
E
E
kg
Yes
E
concentration of the chemical in
air
concentration of the chemical in
river water
concentration of the chemical in
lake water
concentration of the chemical in
lake sediment
concentration of the chemical in
saltlake water
concentration of the chemical in
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
Default
Symbol
C_seawater
C_seased
C_nat
C_agr
C_urb
C_groundwater
C_drw
C_purfsurfacew
C_purfgroundw
C_leafcrops
C_leafcropsimp
C_rootcrops
C_rootcropsimp
C_freshwaterfish
31/72
Name
saltlake sediment
concentration of the chemical in
sea water
concentration of the chemical in
seawater sediment
concentration of the chemical in
natural soil
concentration of the chemical in
agricultural soil
concentration of the chemical in
urban soil
concentration of the chemical in
ground water
concentration of the chemical in
drinking water
concentration of the chemical in
purified drinking water from
surface water
concentration of the chemical in
purified drinking water from
groundwater
concentration of the chemical in
locally produced leaf crops
concentration of the chemical in
imported leaf crops
concentration of the chemical in
locally produced root crops
concentration of the chemical in
imported root crops
concentration of the chemical in
Unit
Diff.
Origin*
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
No
E
kg chem*m^-3
Yes
E
kg chem*m^-3
No
E
kg chem*m^-3
Yes
E
Default
Symbol
Name
locally caught freshwater fish
C_freshwaterfishimp
concentration of the chemical in
imported freshwater fish
C_seafish
concentration of the chemical in
marine fish
C_seafishaverage
concentration of the chemical in
average marine fish
C_grass
concentration of the chemical in
grass
C_meat
concentration of the chemical in
locally produced meat
C_meatimp
concentration of the chemical in
imported meat
C_dairy
concentration of the chemical in
locally produced dairy products
C_dairyimp
concentration of the chemical in
imported dairy products
CHARACTERISATION FACTOR CALCULATIONS
RCRtox_river
Risk Characterisation Ratio for
aquatic ecotoxicity in rivers
RCRtox_lake
Risk Characterisation Ratio for
aquatic ecotoxicity in freshwater
lakes
RCRtox_saltlake
Risk Characterisation Ratio for
aquatic ecotoxicity in saltlakes
RCRtox_seawater
Risk Characterisation Ratio for
marine ecotoxicity
RCRtox_soil
Risk Characterisation Ratio for
terrestrial ecotoxicity
RCRtox_lakesed
Risk Characterisation Ratio for
32/72
Unit
Diff.
Origin*
kg chem*m^-3
No
E
kg chem*m^-3
Yes
E
kg chem*m^-3
No
E
kg chem*m^-3
Yes
E
kg chem*m^-3
Yes
E
kg chem*m^-3
No
E
kg chem*m^-3
Yes
E
kg chem*m^-3
No
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
Default
Symbol
RCRtox_saltlakesed
RCRtox_seased
RCRtox_humnoncarc
RCRtox_humcarc
SFtox_river
SFtox_lake
SFtox_saltlake
SFtox_seawater
33/72
Name
freshwater lake sediment
ecotoxicity
Risk Characterisation Ratio for
saltlake sediment ecotoxicity
Risk Characterisation Ratio for
marine sediment ecotoxicity
Risk Characterisation Ratio for
human toxicity for
noncarcinogenic human toxicity
Risk Characterisation Ratio for
human toxicity for carcinogenic
human toxicity
sensitivity factor of region =
fraction of freshwater river
volume in region sensitive for
aquatic ecotoxicity of this
substance
sensitivity factor of region =
fraction of freshwater lake
volume in region sensitive for
aquatic ecotoxicity of this
substance
sensitivity factor of region =
fraction of saltlake volume in
region sensitive for aquatic
ecotoxicity of this substance
sensitivity factor of region =
fraction of seawater volume in
region sensitive for marine
ecotoxicity of this substance
Unit
Diff.
Origin*
Default
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
E
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
Symbol
SFtox_soil
SFtox_lakesed
SFtox_saltlakesed
SFtox_seased
TFtox_river
TFtox_lake
TFtox_saltlake
34/72
Name
sensitivity factor of region =
fraction of soil volume in region
sensitive for terrestrial ecotoxicity
of this substance
sensitivity factor of region =
fraction of lake sediment volume
in region sensitive for sediment
ecotoxicity of this substance
sensitivity factor of region =
fraction of saltlake sediment
volume in region sensitive for
sediment ecotoxicity of this
substance
sensitivity factor of region =
fraction of marine sediment
volume in region sensitive for
sediment ecotoxicity of this
substance
threshold factor of region =
fraction of freshwater river
volume in region where threshold
for aquatic ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of freshwater lake
volume in region where threshold
for aquatic ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of saltlake volume in
Unit
–
Diff.
Yes
Origin*
input
Default
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
Symbol
TFtox_seawater
TFtox_nat
TFtox_agr
TFtox_urb
TFtox_lakesed
TFtox_saltlakesed
35/72
Name
region sensitive where threshold
for ecotoxicity of this substance
is exceeded
threshold factor of region =
fraction of seawater volume in
region where threshold marine
ecotoxicity of this substance is
exceeded
threshold factor of region =
fraction of natural soil volume in
region where threshold for
terrestrial ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of agricultural soil
volume in region where threshold
for terrestrial ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of urban soil volume in
region where threshold for
terrestrial ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of lake sediment volume
in region where threshold for
sediment ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of saltlake sediment
Unit
Diff.
Origin*
Default
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
–
Yes
input
1
Symbol
TFtox_seased
TFtox_humnoncarc
IPICRtox_river
IPICRtox_lake
IPICRtox_saltlake
IPICRtox_seawater
IPICRtox_soil
IPICRtox_lakesed
36/72
Name
volume in region where threshold
for sediment ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of marine sediment
volume in region where threshold
for sediment ecotoxicity of this
substance is exceeded
threshold factor of region =
fraction of humans in region
where threshold for human
toxicity of this noncarcinogenic
substance is exceeded
Integrated Potential Impact
Characterisation Ratio for aquatic
ecotoxicity in rivers
Integrated Potential Impact
Characterisation Ratio for aquatic
ecotoxicity in lakes
Integrated Potential Impact
Characterisation Ratio for aquatic
ecotoxicity in saltlakes
Integrated Potential Impact
Characterisation Ratio for marine
ecotoxicity
Integrated Potential Impact
Characterisation Ratio for
terrestrial ecotoxicity
Integrated Potential Impact
Characterisation Ratio for
Unit
Diff.
Origin*
Default
–
Yes
input
1
–
Yes
input
1
–
No
–
No
–
No
–
No
–
No
–
No
Symbol
IPICRtox_saltlakesed
IPICRtox_seased
IPICRtox_humnoncarc
IPICRtox_humcarc
IAICRtox_river
IAICRtox_lake
IAICRtox_saltlake
IAICRtox_seawater
IAICRtox_soil
37/72
Name
sediment ecotoxicity in lake
sediment
Integrated Potential Impact
Characterisation Ratio for
sediment ecotoxicity in saltlake
sediment
Integrated Potential Impact
Characterisation Ratio for
sediment ecotoxicity in marine
sediment
Integrated Potential Impact
Characterisation Ratio for
noncarcinogenic human toxicity
Integrated Potential Impact
Characterisation Ratio for for
carcinogenic human toxicity
Integrated Actual Impact
Characterisation Ratio for aquatic
ecotoxicity in rivers
Integrated Actual Impact
Characterisation Ratio for aquatic
ecotoxicity in lakes
Integrated Actual Impact
Characterisation Ratio for aquatic
ecotoxicity in saltlakes
Integrated Actual Impact
Characterisation Ratio for marine
ecotoxicity
Integrated Actual Impact
Characterisation Ratio for
Unit
Diff.
–
No
–
No
–
No
–
No
–
No
–
No
–
No
–
No
–
No
Origin*
Default
Symbol
IAICRtox_lakesed
IAICRtox_saltlakesed
IAICRtox_seased
IAICRtox_humnoncarc
IAICRtox_humcarc
CFtoxpot_river
CFtoxpot_lake
CFtoxpot_saltlake
CFtoxpot_seawater
38/72
Name
terrestrial ecotoxicity
Integrated Actual Impact
Characterisation Ratio for
sediment ecotoxicity in lake
sediment
Integrated Actual Impact
Characterisation Ratio for
sediment ecotoxicity in saltlake
sediment
Integrated Actual Impact
Characterisation Ratio for
sediment ecotoxicity in marine
sediment
Integrated Actual Impact
Characterisation Ratio for
noncarcinogenic human toxicity
Integrated Actual Impact
Characterisation Ratio for
carcinogenic human toxicity
characterisation factor for
potential toxic impact on river
ecosystems
characterisation factor for
potential toxic impact on lake
ecosystems
characterisation factor for
potential toxic impact on saltlake
ecosystems
characterisation factor for
potential toxic impact on marine
Unit
Diff.
Origin*
–
No
–
No
–
No
–
No
–
No
–
No
E
–
No
E
–
No
E
–
No
E
Default
Symbol
CFtoxpot_soil
CFtoxpot_lakesed
CFtoxpot_saltlakesed
CFtoxpot_seased
CFtoxpot_humnoncarc
CFtoxpot_humcarc
CFtoxact_river
CFtoxact_lake
CFtoxact_saltlake
CFtoxact_seawater
CFtoxact_soil
39/72
Name
ecosystems
characterisation factor for
potential toxic impact on
terrestrial ecosystems
characterisation factor for
potential toxic impact on lake
sediment ecosystems
characterisation factor for
potential toxic impact on saltlake
sediment ecosystems
characterisation factor for
potential toxic impact on marine
sediment ecosystems
characterisation factor for
noncarcinogenic toxicity to
humans
characterisation factor for
carcinogenic toxicity to humans
characterisation factor for actual
toxic impact on river ecosystems
characterisation factor for actual
toxic impact on lake ecosystems
characterisation factor for actual
toxic impact on saltlake
ecosystems
characterisation factor for actual
toxic impact on marine
ecosystems
characterisation factor for actual
toxic impact on terrestrial
Unit
Diff.
Origin*
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
Default
Symbol
CFtoxact_lakesed
CFtoxact_saltlakesed
CFtoxact_seased
CFtoxact_humnoncarc
CFtoxact_humcarc
EFFECT_aquatox
EFFECT_marinetox
EFFECT_terrtox
EFFECT_sedtox
EFFECT_seasedtox
EFFECThum_noncarc
EFFECThum_carc
40/72
Name
ecosystems
characterisation factor for actual
toxic impact on lake sediment
ecosystems
characterisation factor for actual
toxic impact on saltlake sediment
ecosystems
characterisation factor for actual
toxic impact on marine sediment
ecosystems
characterisation factor for actual
noncarcinogenic toxic impact on
humans
characterisation factor for actual
carcinogenic toxic impact on
humans
effect factor for aquatic
ecotoxicity
effect factor for marine
ecotoxicity
effect factor for terrestrial
ecotoxicity
effect factor for freshwater
sediment ecotoxicity
effect factor for seawater
sediment ecotoxicity
effect factor for human toxicity
by noncarcinogenics
effect factor for human toxicity
by carcinogenics
Unit
Diff.
Origin*
–
No
E
–
No
E
–
No
E
–
No
E
–
No
E
m^3*kg^-1
No
input
m^3*kg^-1
No
input
kg^-1*kg^-1
No
input
kg^-1*kg^-1
No
input
kg^-1*kg^-1
No
input
yr*kg^-1
No
input
yr*kg^-1
No
input
Default
Symbol
MISCELLANEOUS
Rgas
Name
Unit
Diff.
Origin*
Default
gas constant
J*mol^-1*K^-1
No
EU2 (III-76) 8.3144
*Legend: D = chemical data set; E = GLOBOX equation (in formularium); G1.1 = GLOBACK part 1, sheet ‘countries’; G1.2 =
GLOBACK part 1, sheet ‘seas’; U1 = USES 1.0 (+ page number); U2 = USES 2.0 (+ page number); EU1 = EUSES 1.00 (+ page
number); EU II = EUSES 2.0 (+ page number); SB2 = SimpleBox 2.0 (+ page number); input = to be provided by the user; references:
sea reference list below.
Table Basis media characteristics
Equation
MEDIA CHARACTERISTICS
L: Fsolid_agr = 1-Fwater_agr-Fair_agr
L: Fsolid_nonagr = 1-Fwater_nonagr-Fair_nonagr
Fsolid_deepsoil = 1-Fwater_deepsoil
Fsolid_sed = 1-Fwater_sed
Fsolid_susp = 1-Fwater_susp
L: RHO_soil = Fair_soil*RHO_air+Fwater_soil*RHO_water+Fsolid_soil*RHO_solid
L: RHO_agr = Fair_agr*RHO_air+Fwater_agr*RHO_water+Fsolid_agr*RHO_solid
L: RHO_nonagr = Fair_nonagr*RHO_air+Fwater_nonagr*RHO_water+Fsolid_nonagr*RHO_solid
Table 3: Overview of chemical-dependent equations
Number Equation
PHYSICO-CHEMICAL PARAMETERS
metal: CHARGE = 1: ACTCOEFF = 10^-0.15
41/72
Reference*
U1 (75)
U1 (75)
U1 (75)
U1 (75)
EU2 (III77)
EU2 (III77)
EU2 (III77)
Reference*
Morel &
Number Equation
metal: CHARGE = 2: ACTCOEFF = 10^-0.58
metal: CHARGE = 3: ACTCOEFF = 10^-1.31
metal: CHARGE ≥ 4: ACTCOEFF = 10^-2.34
Reference*
Hering
(1993)
(based on
ionic
strenth sea
water = 0.7
(Van
Breemen,
1972))
S: metal: FREEIONseawater = FREEION25seawater+(TEMP-(273+5))*(FREEION5seawater-FREEION25seawater)/20
SB2 (24)
 H0vapor 
1
1 



 Rgas  TEMPtest TEMP  
organic: VP=VP_TEMPtest×e
[VP, VP_TEMPtest, H0vapor, TEMPtest, TEMP]
organic: SOL>0: HENRY unknown: HENRY = VP_TVP/SOL
organic: Koc=
1.26×Kow 0.81
1000
[Koc, Kow]
organic: K_airwater = HENRY/(Rgas*TEMP)
EU2 (III78)
EU2 (III80)
EU2 (III78)
EU2 (III81)
L: organic: Kp_soil = Foc_soil* Koc
PARTITIONING PARAMETERS
organic: TEMPmelt<=TEMP: Fass_aer=
CONjunge×SURFaer
VP+CONjunge×SURFaer
[Fass_aer, CONjunge, SURFaer, VP]
CONjunge×SURFaer
organic: TEMPmelt>TEMP: Fass_aer=
VP×e
42/72
 TEMPmelt 
6.79× 1
TEMP 

+CONjunge×SURFaer
EU2 (III78)
Number Equation
[Fass_aer, CONjunge, SURFaer, VP, TEMPmelt, TEMP]
organic: SCAVratio = ((1-Fass_aer)/K_airwater)+Fass_aer*COLLECTeff
metal, gas: SCAVratio = Fass_aer*COLLECTeff
L: organic: Kp_susp = Foc_susp* Koc
S: organic: Kp_seasusp = Foc_seasusp* Koc
S: metal, gas: Kp_seasusp = Kp_susp
L: organic: Kp_sed = Foc_sed* Koc
S: organic: Kp_seased = Foc_seased* Koc
S: metal, gas: Kp_seased = Kp_sed
L: K_sedwater = Fwater_sed+Fsolid_sed*Kp_sed*RHO_solid
S: K_seasedseawater = Fwater_sed+Fsolid_sed*Kp_seased*RHO_solid
L: K_soilwater = Fair_soil*K_airwater + Fwater_soil+ Fsolid_soil*Kp_soil*RHO_solid
L: K_agrwater = Fair_agr*K_airwater + Fwater_agr+ Fsolid_agr*Kp_soil*RHO_solid
K_nonagrwater = Fair_nonagr*K_airwater + Fwater_nonagr+ Fsolid_nonagr*Kp_soil*RHO_solid
K_deepsoilwater = Fwater_deepsoil + Fsolid_deepsoil*Kp_soil*RHO_solid
L: AREA_agr>0: K_airagr = K_airwater/K_agrwater
L: K_airnonagr = K_airwater/K_nonagrwater
organic: K_plantwater=Fwater_plant+Flipid_plant*Kow b
L: organic: K_leafair = Fair_plant+(K_plantwater/K_airwater)
BIOCONCENTRATION PARAMETERS
L: organic: BCF_rootcrops unknown: BCF_rootcrops = (K_plantwater/RHO_plant)/(K_agrwater/RHO_agr)
L: gas: BCF_rootcrops unknown: BCF_rootcrops = 0
43/72
Reference*
SB2 (30)
EU2 (III81)
EU2 (III81)
SB2 (31)
EU2 (III83)
EU2 (III83)
-
EU2 (III130)
EU2 (III131)
EU2 (III130; III107)
Number Equation
organic: TSCF=0.784×e
2
-( log ( Kow )-1.78) /2.44
kelim_plant = kmetab_plant+kphoto_plant
L: organic: BCFsoil_leafcrops unknown:
RHO_agr×TSCF×Qtransp
 AREAplant×g_plant

 K_leafair×V_leaf +kelim_plant+kgrowth_plant  ×RHO_plant×V_leaf×K_agrwater


[BCFsoil_leafcrops, RHO_agr, TSCF, Qtransp, AREA_plant, g_plant, K_leafair, V_leaf, kelim_plant, kgrowth_plant,
RHO_plant, K_agrwater]
L: organic: BCFair_leafcrops unknown:
1-Fass_aer
BCFair_leafcrops=
( kelim_plant+kgrowth_plant ) ×V_leaf ×RHO_plant
1
+
K_leafair
g_plant×AREA_plant
L: metal: BCFair_leafcrops unknown:
BCFair_leafcrops = (1-Fass_aer)/((kelim_plant+kgrowth_plant)*V_leaf/(g_plant*AREA_plant))*RHO_plant)
1-Fass_aer
BCFair_leafcrops=
( kelim_plant+kgrowth_plant ) ×V_leaf ×RHO_plant
g_plant×AREA_plant
[BCFair_leafcrops, Fass_aer, K_leafair, kelim_plant, kgrowth_plant, V_leaf, g_plant, AREA_plant, *RHO_plant]
organic: BCF_fish unknown: log(Kow)<=6: BCF_fish=100.85×log(Kow)-0.7-3
[BCF_fish, Kow]
BCFsoil_leafcrops=
organic: BCF_fish unknown: log(Kow)>6: BCF_fish=10-0.2×(log(Kow))
[BCF_fish, Kow]
organic: BCF_meat unknown: BCF_meat=10-7.6+log(Kow)
[BCF_meat, Kow]
organic: BCF_milk unknown: BCF_milk=10-8.1+log(Kow)
44/72
2
Reference*
EU2 (III130)
EU2 (III131)
EU2 (III131-132;
III-107)
EU2 (III131-132;
III-107)
EU2 (III122)
+2.74×log(Kow)-4.72-3
EU2 (III134)
EU2 (III-
Number Equation
[BCF_milk, Kow]
FRACTIONATION PARAMETERS
L: SUSPCONC_inlandwater = SUSPFRACTION_inlandwater*Fsolid_susp*RHO_solid
S: SUSPCONC_seawater = SUSPFRACTION_seawater*Fsolid_susp*RHO_solid
1
L: organic, metal: Fdiss_inlandwater=
BCF_fish
1+Kp_susp×SUSPCONC_inlandwater+
×BIOCONC_water
1-Fwater_bio
[Fdiss_inlandwater, Kp_susp, SUSPCONC_inlandwater, BCF_fish, Fwater_bio, BIOCONC_water]
L: gas: Fdiss_inlandwater = 1
1
S: organic, metal: Fdiss _ seawater =
BCF _ fish
× BIOCONC _ water
1 + Kp _ seasusp × SUSPCONC _ seawater +
1 − Fwater _ bio
[Fdiss_seawater, Kp_seasusp, SUSPCONC_seawater, BCF_fish, Fwater_bio, BIOCONC_water]
S: gas: Fdiss_ seawater = 1
L: organic, metal: Fdiss_sed = Fwater_sed/K_sedwater
L: gas: Fdiss_sed = 1
S: organic, metal: Fdiss_seased = Fwater_sed/K_seasedseawater
S: gas: Fdiss_seased = 1
L: organic, metal: Fdiss_soil = Fwater_soil/K_soilwater
L: gas: Fdiss_soil = 1
L: organic, metal: Fdiss_agr = Fwater_agr/K_agrwater
L: gas: Fdiss_agr = 1
L: organic, metal: Fdiss_nonagr = Fwater_nonagr/K_nonagrwater
L: gas: Fdiss_nonagr = 1
L: organic, metal: Fdiss_deepsoil = Fwater_deepsoil/K_deepsoilwater
L: gas: Fdiss_deepsoil = 1
Reference*
134)
SB2 (32)
SB2 (32)
*Legend: U1 = USES 1.0 (+ page number); U2 = USES 2.0 (+ page number); EU1 = EUSES 1.00 (+ page number); EU II = EUSES 2.0
(+ page number); SB2 = SimpleBox 2.0 (+ page number); input = to be provided by the user; references: sea reference list below.
45/72
Table 4: Overview of chemical-independent equations
Number Equation
CLIMATIC PARAMETERS
L: AREA_lake>0: RAINDIRECT_lake = RAINRATE*AREA_lake
L: RAINDIRECT_saltlake = RAINRATE*AREA_saltlake
L: AREA_lake>0: EVAP_lake = EVAPrate_lake*AREA_lake
Ftime_rain = 0.1*RAINDAYS/365
Ftime_frost = FROSTMONTHS/12
FLOW PARAMETERS
L: AREA_lake > 0: FLOW_river_lake = (AREA_lake*TOTALDEPTH_lake/RESTIME_lake)-RAINDIRECT_lake
L: AREA_lake = 0: FLOW_river_lake = 0
L: AREA_lake > 0: FLOW_lake_river = (AREA_lake*TOTALDEPTH_lake/RESTIME_lake)-EVAP_lake
L: AREA_lake = 0: FLOW_lake_river = 0
L: FLOW_river_saltlake = EVAP_saltlake-RAINDIRECT_saltlake
DIMENSIONAL PARAMETERS
L: AREA_saltlakesed = AREA_saltlake
L: AREA_nat = SYSTEMAREA*Farea_nat
L: AREA_agr = SYSTEMAREA*Farea_agr
L: AREA_urb = SYSTEMAREA*Farea_urb
V_air = SYSTEMAREA*HEIGHT_air
L: V_lake = AREA_lake*MIXDEPTH_lake
L: V_saltlake = AREA_saltlake*TOTALDEPTH_saltlake
S: V_seawater = SYSTEMAREA*MIXDEPTH_seawater
L: V_lakesed = AREA_lakesed*DEPTH_sed
L: V_saltlakesed = AREA_saltlakesed*DEPTH_sed
S: V_seased = AREA_seased*DEPTH_sed
L: V_nat = AREA_nat*DEPTH_nonagr
46/72
Reference*
U1 (76)
U1 (76)
U1 (76)
SB2 (37)
SB2 (56)
SB2 (57)
Number Equation
L: V_agr = AREA_agr*DEPTH_agr
L: V_urb = AREA_urb*DEPTH_nonagr
L: TOTALDEPTH_lake ≤ DEPTH_groundwater: V_groundwater = ((SYSTEMAREA*DEPTH_groundwater)V_lake)*Fwater_deepsoil
TOTALDEPTH_lake > DEPTH_groundwater: V_groundwater = ((SYSTEMAREAAREA_lake)*DEPTH_groundwater)*Fwater_deepsoil
IMPORT PARAMETERS
5.1
DEGRADATION
BACTporew_sed = BACT_sed/Fwater_sed
organic: PASSreadytest = 'yes': kdeg_test = ln(2)/(5*24*3600)
organic: PASSreadytest = 'no': kdeg_test = ln(2)/(1000*24*3600)
DT50bio_freshwater_TEMPtest unknown: organic: inherently_biodegradable = yes: readily_biodegradable = yes:
fulfilling_10d_window = yes: DT50bio_freshwater_TEMPtest = 15*24*3600
DT50bio_freshwater_TEMPtest unknown: organic: inherently_biodegradable = yes: readily_biodegradable = yes:
fulfilling_10d_window = no: DT50bio_freshwater_TEMPtest = 50*24*3600
DT50bio_freshwater_TEMPtest unknown: organic: inherently_biodegradable = yes: readily_biodegradable = no:
fulfilling_10d_window = no: DT50bio_freshwater_TEMPtest = 150*24*3600
DT50bio_freshwater_TEMPtest unknown: organic: inherently_biodegradable = no: readily_biodegradable = no:
fulfilling_10d_window = no: DT50bio_freshwater_TEMPtest = infinite
metal, gas: L: DT50bio_freshwater = DT50bio_freshwater_TEMPtest
( 0.08×(TEMPtest-TEMP ) )
organic: L: DT50bio_freshwater=DT50bio_freshwater_TEMPtest×e
[DT50bio_freshwater, DT50bio_freshwater_TEMPtest, TEMPtest, TEMP]
L: DT50bio_saltlake = DT50bio_freshwater/SALINITYcorr
DT50bio_seawater_TEMPtest unknown: DT50bio_seawater_TEMPtest =
DT50bio_freshwater_TEMPtest/SALINITYcorr
metal, gas: S: DT50bio_seawater = DT50bio_seawater_TEMPtest
( 0.08×(TEMPtest-TEMP ) )
organic: S: DT50bio_seawater=DT50bio_seawater_TEMPtest×e
[DT50bio_seawater, DT50bio_seawater_TEMPtest, TEMPtest, TEMP]
47/72
Reference*
SB2 (57)
SB2 (57)
SB2 (73)
SB2 (72)
SB2 (72)
SB2 (72);
EU2 (III-88)
EU2 (III-88)
Number Equation
organic: L: inherently_biodegradable = yes: readily_biodegradable = yes: fulfilling_10d_window = yes:
DT50aerbio_sed_TEMPtest = 30*24*3600*10*Kp_sed
organic: L: inherently_biodegradable= yes: readily_biodegradable = yes: fulfilling_10d_window = no:
DT50aerbio_sed_TEMPtest = 90*24*3600*10*Kp_sed
organic: L: inherently_biodegradable= yes: readily_biodegradable = no: fulfilling_10d_window = no:
DT50aerbio_sed_TEMPtest = 300*24*3600*10*Kp_sed
organic: L: inherently_biodegradable= no: readily_biodegradable = no: fulfilling_10d_window = no:
DT50aerbio_sed_TEMPtest = infinite
metal, gas: L: DT50aerbio_sed = DT50aerbio_sed_TEMPtest
Reference*
SB2 (73)
))
organic: L: DT50aerbio_sed=DT50aerbio_sed_TEMPtest×e( (
[DT50aerbio_sed, DT50aerbio_sed_TEMPtest, TEMPtest, TEMP]
L: DT50aerbio_saltlakesed unknown: DT50aerbio_saltlakesed = DT50aerbio_sed/SALINITYcorr
L: DT50anaerbio_saltlakesed unknown: DT50anaerbio_saltlakesed = DT50anaerbio_sed/SALINITYcorr
metal, gas: S: DT50aerbio_seased = DT50aerbio_seased_TEMPtest
organic: S: DT50aerbio_seased_TEMPtest unknown:
inherently_biodegradable= yes: readily_biodegradable = yes: fulfilling_10d_window = yes: DT50aerbio_seased_TEMPtest =
30*24*3600*10*Kp_seased/ SALINITYcorr
inherently_biodegradable= yes: readily_biodegradable = yes: fulfilling_10d_window = no: DT50aerbio_seased_TEMPtest =
90*24*3600*10*Kp_seased/SALINITYcorr
inherently_biodegradable= yes: readily_biodegradable = no: fulfilling_10d_window = no: DT50aerbio_seased_TEMPtest =
300*24*3600*10*Kp_seased/SALINITYcorr
inherently_biodegradable= no: readily_biodegradable = no: fulfilling_10d_window = no: DT50aerbio_seased_TEMPtest =
infinite
[DT50aerbio_seased, DT50aerbio_sed_TEMPtest, TEMPtest, TEMP, SALINITYcorr]
metal, gas: L: DT50aerbio_seased = DT50aerbio_seased_TEMPtest
0.08× TEMPtest-TEMP
)
organic: L: DT50aerbio_seased=DT50aerbio_seased_TEMPtest×e(
[DT50aerbio_seased, DT50aerbio_seased_TEMPtest, TEMPtest, TEMP]
S: DT50anaerbio_seased unknown: DT50anaerbio_seased = DT50anaerbio_sed/SALINITYcorr
organic: L: DT50bio_soil_TEMPtest unknown:
0.08×(TEMPtest-TEMP )
48/72
EU2 (III-89)
Number Equation
inherently_biodegradable= yes: readily_biodegradable = yes: fulfilling_10d_window = yes: DT50bio_soil_TEMPtest =
30*24*3600*10*Kp_soil
inherently_biodegradable= yes: readily_biodegradable = yes: fulfilling_10d_window = no: DT50bio_soil_TEMPtest =
90*24*3600*10*Kp_soil
inherently_biodegradable= yes: readily_biodegradable = no: fulfilling_10d_window = no: DT50bio_soil_TEMPtest =
300*24*3600*10*Kp_soil
inherently_biodegradable= no: readily_biodegradable = no: fulfilling_10d_window = no: DT50bio_soil_TEMPtest =
infinite
metal, gas: L: DT50bio_soil = DT50bio_soil_TEMPtest
Reference*
))
organic: L: DT50bio_soil=DT50bio_soil_TEMPtest×e( (
[DT50bio_soil, DT50bio_soil_TEMPtest, TEMPtest, TEMP]
L: DT50bio_agr unknown: DT50bio_agr = DT50bio_soil*Fdiss_soil/Fdiss_agr
L: DT50bio_nonagr unknown: DT50bio_nonagr = DT50bio_soil*Fdiss_soil/Fdiss_nonagr
metal, gas: DT50hydro_water = DT50hydro_water_TEMPtest
0.08× TEMPtest-TEMP
organic: DT50hydro_water_TEMPtest known: DT50hydro_water=DT50hydro_water_TEMPtest×e(
[DT50hydro_water, DT50hydro_water_TEMPtest, TEMPtest, TEMP]
L: DT50abio_saltlakesed unknown: DT50abio_saltlakesed = DT50abio_sed
S: DT50abio_seased unknown: DT50abio_seased = DT50abio_sed
organic, gas: krad_OH unknown: krad_OH = ln(2)/DT50photo_air
kdeg_air unknown: kdeg_air = (1-Fass_aer)* krad_OH*OHCONC_air/OHCONCref_air
L: kbio_freshwater = ln(2)/DT50bio_freshwater
L: kbio_saltlake = ln(2)/DT50bio_saltlake
DT50hydro_water known: khydro_inlandwater = ln(2)/DT50hydro_water
DT50hydro_water unknown: khydro_inlandwater = 0
DT50hydro_water known: khydro_seawater = ln(2)/DT50hydro_water
DT50hydro_water unknown: khydro_seawater = 0
DT50photo_water known: kphoto_water = ln(2)/DT50photo_water
DT50photo_water unknown: kphoto_water = 0
L: kdeg_freshwater = kbio_freshwater + khydro_inlandwater + kphoto_water
49/72
0.08×(TEMPtest-TEMP ) )
EU2 (III-86)
EU2 III-88
Number Equation
L: kdeg_saltlake = kbio_saltlake + khydro_inlandwater + kphoto_water
S: kbio_seawater = ln(2)/DT50bio_seawater
S: kdeg_seawater = kbio_seawater + khydro_seawater+ kphoto_water
L: kaerbio_sed = ln(2)/DT50aerbio_sed
L: kanaerbio_sed = ln(2)/DT50anaerbio_sed
kabio_sed = ln(2)/DT50abio_sed
kdeg_sed = Faer_sed*kaerbio_sed+(1-Faer_sed)*kanaerbio_sed+kabio_sed
L: kaerbio_saltlakesed = ln(2)/DT50aerbio_saltlakesed
L: kanaerbio_saltlakesed = ln(2)/DT50anaerbio_saltlakesed
L: kabio_saltlakesed = ln(2)/DT50abio_saltlakesed
L: kdeg_saltlakesed = Faer_sed*kaerbio_saltlakesed+(1-Faer_sed)*kanaerbio_saltlakesed+kabio_saltlakesed
S: kaerbio_seased = ln(2)/DT50aerbio_seased
S: kanaerbio_seased = ln(2)/DT50anaerbio_seased
S: kabio_seased = ln(2)/DT50abio_seased
S: kdeg_seased = Faer_seased*kaerbio_seased+(1-Faer_seased)*kanaerbio_seased+kabio_seased
L: kbio_agr = ln(2)/DT50bio_agr
L: kbio_nonagr = ln(2)/DT50bio_nonagr
kabio_soil = ln(2)/DT50abio_soil
L: kdeg_agr = kbio_agr+kabio_soil
L: kdeg_nonagr = kbio_nonagr+kabio_soil
EXPOSURE PARAMETERS
L: CONVagr = RHO_agr/(RHO_solid*Fsolid_agr)
BORDERLENGTH(i,j)>0: BORDERHEIGHT_air(i,j) = min(HEIGHT_air(i), HEIGHT_air(j))
BORDERLENGTH(i,j)>0:
WINDSPEED(i)× SYSTEMAREA(i)
WINDSPEED(j)× SYSTEMAREA(j)
BORDERWINDSPEED(i,j)=
+
SYSTEMAREA(i) + SYSTEMAREA(j)
SYSTEMAREA(i) + SYSTEMAREA(j)
[BORDERWINDSPEED, WINDSPEED, SYSTEMAREA]
50/72
Reference*
EU2 III-88
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-90)
EU2 (III-77)
Number Equation
L: PRODsusp_saltlake = PRODratesusp_inlandwater*AREA_saltlake
SALTLAKE PARAMETERS
L: FLOW_river,saltlake = EVAP_saltlake
SEAWATER PARAMETERS
S: PRODsusp_seawater = PRODratesusp_seawater*SYSTEMAREA
SEASEDIMENT PARAMETERS
SOIL PARAMETERS
DISTRIBUTION PARAMETERS
 0.018 
kaw_air=0.01×(0.3+0.2×WINDSPEED)× 

 MOLW 
[kaw_air, WINDSPEED, MOLW]
EU2 (III-108)
0.67×0.5
0.5×0.5
 0.032 
kaw_water=0.01×(0.004+0.00004×WINDSPEED)× 

 MOLW 
[kaw_water, WINDSPEED, MOLW]
1-Fass_aer
GASABS_water= (1-Ftime_frost ) ×
K_airwater
1
+
kaw_water kaw_air
[GASABS_water, Ftime_frost, Fass_aer, K_airwater, kaw_water, kaw_air]
GASABS_water
L: VOLAT_inlandwater= (1-Ftime_frost ) ×
K_airwater×Fdiss_inlandwater
1-Fass_aer
[VOLAT_inlandwater, Ftime_frost, GASABS_water, Fass_aer, K_airwater, Fdiss_inlandwater]
GASABS_water
S: VOLAT_seawater= (1-Farea_seaice ) ×
×K_airwater×Fdiss_seawater
1-Fass_aer
[VOLAT_seawater, Farea_seaice, GASABS_water, Fass_aer, K_airwater, Fdiss_seawater]
51/72
Reference*
EU2 (III-108)
SB2 (75)
SB2 (76)
-
Number Equation
1-Fass_aer
1
1
+
kasl_air kasl_soilair+ kasl_soilwater
K_airnonagr
[GASABS_nat, Fass_aer, kasl_air, kasl_soilair, kasl_soilwater, K_airnonagr]
L: K_airnonagr=0: GASABS_nat = 0
1-Fass_aer
L: K_airagr>0: GASABS_agr=
1
1
+
kasl_air kasl_soilair+ kasl_soilwater
K_airagr
[GASABS_agr, Fass_aer, kasl_air, kasl_soilair, kasl_soilwater, K_airagr]
L: K_airagr=0: GASABS_agr = 0
1-Fass_aer
L: K_airnonagr>0: GASABS_urb=
1
1
+
kasl_air kasl_soilair+ kasl_soilwater
K_airnonagr
[GASABS_urb, Fass_aer, kasl_air, kasl_soilair, kasl_soilwater, K_airnonagr]
L: K_airnongagr=0: GASABS_urb = 0
(1- ( AREA_landice/AREA_nat ) )× (1-Ftime_frost )×GASABS_nat ×K_airnonagr
L: AREA_nat>0: VOLAT_nat=
(1-Fass_aer )
[VOLAT_nat, AREA_landice, AREA_nat, Ftime_frost, GASABS_nat, Fass_aer, K_airnonagr]
(1-Ftime_frost ) ×GASABS_agr ×K_airagr
L: AREA_agr>0: VOLAT_agr=
(1-Fass_aer )
[VOLAT_agr, Ftime_frost, GASABS_agr, Fass_aer, K_airagr]
(1-Ftime_frost ) ×GASABS_urb ×K_airnonagr
L: AREA_urb>0: VOLAT_urb=
(1-Fass_aer )
L: K_airnonagr>0: GASABS_nat=
52/72
Reference*
SB2 (76)
SB2 (76)
SB2 (76)
SB2 (76)
SB2 (76)
SB2 (76)
Number Equation
[VOLAT_urb, Ftime_frost, GASABS_urb, Fass_aer, K_airnonagr]
DRYDEP_aer = AEROSOLDEPRATE*Fass_aer
WASHOUT = RAINRATE*SCAVratio
L: AREA_nat>0: EROSION_nat= RAINRATE*Fsolid_runoff/Fsolid_nonagr
L: AREA_agr>0: EROSION_agr= RAINRATE*Fsolid_runoff/Fsolid_agr
L: AREA_urb>0: EROSION_urb= RAINRATE*Fsolid_runoff/Fsolid_nonagr
L: AREA_nat>0: RUNOFF_nat = ((WATERrunoff/AREA_nat)/K_nonagrwater)+EROSION_nat
L: AREA_agr>0: RUNOFF_agr = ((WATERrunoff/AREA_agr)/K_agrwater)+EROSION_agr
L: AREA_urb>0: RUNOFF_urb = ((WATERrunoff/AREA_urb)/K_nonagrwater)+EROSION_urb
L: RAINRATE > 0: Finf_soil = FLOW_soil_groundwater/(RAINRATE*(AREA_nat+AREA_agr+AREA_urb))
L: RAINRATE = 0: Finf_soil = 0
L: LEACH_agr = Finf_soil*RAINRATE/K_agrwater
L: LEACH_nonagr = Finf_soil*RAINRATE/K_nonagrwater
L: ADSORB_sed = Fdiss_inlandwater/(1/kws_water+1/kws_sed)
L: DESORB_sed = ADSORB_sed/(K_sedwater*Fdiss_sed)
S: ADSORB_seased = Fdiss_seawater/(1/kws_water+1/kws_sed)
S: DESORB_seased = ADSORB_seased/(K_seasedseawater*Fdiss_seased)
L:
Reference*
SB2 (75)
SB2 (75)
SB2 (79)
SB2 (79)
SB2 (79)
SB2 (80)
SB2 (80)
SB2 (78)
SB2 (78)
sin(i)=EROSION_nat(i)×AREA_nat(i)×Fsolid_nonagr(i)+EROSION_agr(i)×AREA_agr(i)×Fsolid_agr(i)+EROSION_urb(i)×AREA_urb(i)×F
riverinflow_solid ( i ) = ∑ SUSPCONC_inlandwater ( j) ×FLOW_river_river ( j,i ) +sin(i)×RHO_solid(i)
j∈L
[riverinflow_solid, SUSPCONC_inlandwater, FLOW_river_river, EROSION_nat, AREA_nat, Fsolid_nonagr,
EROSION_agr, AREA_agr, Fsolid_agr, EROSION_urb, AREA_urb, RHO_solid]
L: riveroutflow_solid ( i ) = ∑ SUSPCONC_inlandwater ( i ) ×FLOW_river_river ( i,j)
j∈L
[riveroutflow_solid, SUSPCONC_inlandwater, FLOW_river_river]
L: AREA_saltlake>0:
53/72
Number Equation
Reference*
ein(i)=EROSION_nat(i)×AREA_nat(i)×Fsolid_nonagr(i)+EROSION_agr(i)×AREA_agr(i)×Fsolid_agr(i)+EROSION_urb(i)×AREA_urb(i)×F
win(i)= ∑ (SUSPCONC_inlandwater(j)×FLOWriver_river(j,i) )
j∈L
NETSEDRATE_saltlake(i)=
PRODSUSP_saltlake(i)+win(i)+ein(i)×RHO_solid
Fsolid_sed(i)×RHO_solid×AREA_saltlake(i)
[NETSEDRATE_saltlake, PRODSUSP_saltlake, SUSPCONC_inlandwater, FLOW_river_river, EROSION_nat,
AREA_nat, Fsolid_nonagr, EROSION_agr, AREA_agr, Fsolid_agr, EROSION_urb, AREA_urb]
rin(i)= ∑ SUSPCONC_inlandwater(j)×FLOW_river_seawater(j,i)
j∈L
sin(i)= ∑ SUSPCONC_seawater(j)×FLOW_seawater_seawater(j,i)
j∈S
S:
sout(i)= ∑ SUSPCONC_seawater(i)×FLOW_seawater_seawater(i,j)
j∈S
PRODSUSP_seawater(i)+rin(i)+sin(i)-sout(i)
Fsolid_sed(i)×RHO_solid×SYSTEMAREA(i)
[NETSEDRATE_seawater, PRODSUSP_seawater, SUSPCONC_inlandwater, FLOW_river_seawater,
SUSPCONC_seawater, FLOW_seawater_seawater, Fsolid_sed, RHO_solid, SYSTEMAREA]
L: sedrate_inlandwater = SETTLvelocity_susp*SUSPCONC_inlandwater/(Fsolid_sed*RHO_solid)
S: sedrate_seawater = SETTLvelocity_susp*SUSPCONC_seawater/(Fsolid_sed*RHO_solid)
L: sedrate_inlandwater>NETsedrate_saltlake: GROSSsedrate_saltlake = sedrate_inlandwater
L: sedrate_inlandwater<NETsedrate_saltlake: GROSSsedrate_saltlake = NETsedrate_saltlake
S: sedrate_seawater>NETsedrate_seawater: GROSSsedrate_seawater = sedrate_seawater
S: sedrate_seawater<NETsedrate_seawater: GROSSsedrate_seawater = NETsedrate_seawater
L: sedrate_inlandwater>NETsedrate_saltlake: RESUSPrate_saltlake = GROSSsedrate_saltlake-NETsedrate_saltlake
L: sedrate_inlandwater≤NETsedrate_saltlake: RESUSPrate_saltlake =0
S: sedrate_seawater>NETsedrate_seawater: RESUSPrate_seawater = GROSSsedrate_seawater-NETsedrate_seawater
S: sedrate_seawater≤NETsedrate_seawater: RESUSPrate_seawater = 0
INTERMEDIA TRANSFER PARAMETERS
L: DIFF_air_lake = GASABS_water*AREA_lake
NETSEDRATE_seawater(i)=
54/72
SB2 (49)
SB2 (49)
SB2 (87)
Number Equation
L: DIFF_lake_air = VOLAT_inlandwater*AREA_lake
L: ADV_air_lake = (DRYDEP_aer+WASHOUT)*AREA_lake
L: DIFF_air_saltlake = GASABS_water*AREA_saltlake
L: DIFF_saltlake, air = VOLAT_inlandwater*AREA_saltlake
L: ADV_air_saltlake = (DRYDEP_aer+WASHOUT)*AREA_saltlake
S: DIFF_air_seawater = GASABS_water*SYSTEMAREA
S: DIFF_seawater_air = VOLAT_seawater*SYSTEMAREA
S: ADV_air_seawater = (DRYDEP_aer+WASHOUT)*SYSTEMAREA
L: DIFF_air_nat = GASABS_nat*AREA_nat
L: DIFF_air_agr = GASABS_agr*AREA_agr
L: DIFF_air_urb = GASABS_urb*AREA_urb
L: DIFF_nat_air = VOLAT_nat*AREA_nat
L: DIFF_agr_air = VOLAT_agr*AREA_agr
L: DIFF_urb_air = VOLAT_urb*AREA_urb
L: ADV_air_nat = (DRYDEP_aer+WASHOUT)*AREA_nat
L: ADV_air_agr = (DRYDEP_aer+WASHOUT)*AREA_agr
L: ADV_air_urb = (DRYDEP_aer+WASHOUT)*AREA_urb
L: ADV_nat_river = RUNOFF_nat*AREA_nat
L: ADV_agr_river = RUNOFF_agr*AREA_agr
L: ADV_urb_river = RUNOFF_urb*AREA_urb
L: ADV_river_lake = FLOW_river_lake
L: ADV_river_saltlake = FLOW_river_saltlake
L: ADV_river_agr = FLOW_river_agr
L,S: ADV_river_seawater(i,j) = FLOW_river_seawater(i,j)
L: ADV_river_outside = (riverinflow_solid-riveroutflow_solid))/(Fsolid_sed*RHO_solid)
L: ADV_nat_groundwater = LEACH_nonagr*AREA_nat*Fdiss_deepsoil
L: ADV_agr_groundwater = LEACH_agr*AREA_agr *Fdiss_deepsoil
L: ADV_urb_groundwater = LEACH_nonagr*AREA_urb*Fdiss_deepsoil
L: ADV_lake_river= FLOW_lake_river
55/72
Reference*
SB2 (88)
SB2 (86)
SB2 (87)
SB2 (88)
SB2 (86)
SB2 (88)
SB2 (88)
SB2 (88)
SB2 (88)
SB2 (88)
SB2 (88)
SB2 (86)
SB2 (86)
SB2 (86)
SB2 (105)
SB2 (105)
SB2 (105)
Number Equation
L: DIFF_lake_lakesed = ADSORB_sed*AREA_lakesed
L: DIFF_lakesed_lake = DESORB_sed*AREA_lakesed
L: ADV_lake_lakesed = sedrate_inlandwater*SUSPCONC_inlandwater*Kp_susp*AREA_lakesed
L: ADV_lake_outside = sedrate_inlandwater*SUSPCONC_inlandwater*Kp_susp *(AREA_lake-AREA_lakesed)
L: ADV_lakesed_outside = sedrate_inlandwater*SUSPCONC_inlandwater*Kp_susp*AREA_lakesed
L: DIFF_saltlake_saltlakesed = ADSORB_sed*AREA_saltlakesed
L: DIFF_saltlakesed_saltlake = DESORB_sed*AREA_saltlakesed
L: ADV_saltlake_saltlakesed = GROSSsedrate_saltlake*AREA_saltlakesed
L: ADV_saltlakesed_saltlake = RESUSPrate_saltlake* AREA_saltlakesed
L: ADV_saltlakesed_outside = NETsedrate_saltlake*AREA_saltlakesed
L: ADV_groundwater_agr = FLOW_groundwater_agr
L: ADV_groundwater_river = FLOW_groundwater_river
L,S: ADV_groundwater_seawater(i,j) = FLOW_groundwater_seawater(i,j)
S: DIFF_seawater_seased = ADSORB_seased*AREA_seased
S: DIFF_seased_seawater = DESORB_seased*AREA_seased
S: ADV_seawater_seased = GROSSsedrate_seawater*AREA_seased
S: ADV_seased_seawater = RESUSPrate_seawater* AREA_seased
S: ADV_seawater_outside = GROSSsedrate_seawater*(SYSTEMAREA-AREA_seased)
S: ADV_seased_outside = NETsedrate_seawater*AREA_seased
INTRAMEDIUM TRANSPORT PARAMETERS
ADV_air_air(i,j) = BORDERWINDSPEED(i,j)*BORDERLENGTH(i,j)*BORDERHEIGHT_air(i,j)
L,L: ADV_river_river(i,j) = FLOW_river_river(i,j)
L,L: ADV_groundwater_groundwater(i,j) = FLOW_groundwater_groundwater(i,j)
S,S: ADV_seawater_seawater(i,j) = FLOW_seawater_seawater(i,j)
BALANCE EQUATIONS
56/72
Reference*
SB2 (102)
SB2 (102)
SB2 (100)
SB2 (102)
SB2 (102)
SB2 (100)
SB2 (100)
SB2 (38)
SB2 (38)
Number Equation
V((i-1)×nregion+1) = V_air(i)
L: V((i-1)×nregion+2) = V_nat(i)
L: V((i-1)×nregion+3) = V_agr(i)
L: V((i-1)×nregion+4) = V_urb(i)
L: V((i-1)×nregion+5) = V_river(i)
L: V((i-1)×nregion+6) = V_lake(i)
L: V((i-1)×nregion+7) = V_lakesed(i)
L: V((i-1)×nregion+8) = V_saltlake(i)
L: V((i-1)×nregion+9) = V_saltlakesed(i)
L: V((i-1)×nregion+10) = V_groundwater(i)
S: V((i-1)×nregion+11) = V_seawater(i)
S: V((i-1)×nregion+12) = V_seased(i)
L: DIFF((i-1)×nregion+1, (i-1)×nregion+2) = DIFF_air_nat(i,i)
L: DIFF((i-1)×nregion+1, (i-1)×nregion+3) = DIFF_air_agr(i,i)
L: DIFF((i-1)×nregion+1, (i-1)×nregion+4) = DIFF_air_urb(i,i)
L: DIFF((i-1)×nregion+1, (i-1)×nregion+6) = DIFF_air_lake(i,i)
L: DIFF((i-1)×nregion+1, (i-1)×nregion+8) = DIFF_air_saltlake(i,i)
S: DIFF((i-1)×nregion+1, (i-1)×nregion+11) = DIFF_air_seawater(i,i)
L: DIFF((i-1)×nregion+2, (i-1)×nregion+1) = DIFF_nat_air(i,i)
L: DIFF((i-1)×nregion+3, (i-1)×nregion+1) = DIFF_agr_air(i,i)
L: DIFF((i-1)×nregion+4, (i-1)×nregion+1) = DIFF_urb_air(i,i)
L: DIFF((i-1)×nregion+6, (i-1)×nregion+1) = DIFF_lake_air(i,i)
L: DIFF((i-1)×nregion+6, (i-1)×nregion+7) = DIFF_lake_lakesed(i,i)
L: DIFF((i-1)×nregion+7, (i-1)×nregion+6) = DIFF_lakesed_lake(i,i)
L: DIFF((i-1)×nregion+8, (i-1)×nregion+1) = DIFF_saltlake_air(i,i)
L: DIFF((i-1)×nregion+8, (i-1)×nregion+9) = DIFF_saltlake_ saltlakesed(i,i)
L: DIFF((i-1)×nregion+9, (i-1)×nregion+8) = DIFF_saltlakesed_saltlake(i,i)
57/72
Reference*
Number Equation
S: DIFF((i-1)×nregion+11, (i-1)×nregion+1) = DIFF_seawater_air(i,i)
S: DIFF((i-1)×nregion+11, (i-1)×nregion+12) = DIFF_seawater_seased(i,i)
S: DIFF((i-1)×nregion+12, (i-1)×nregion+11) = DIFF_seased_seawater(i,i)
ADV((i-1)×nregion+1, (j-1)×nregion+1) = ADV_air_air(i,j)
L: ADV((i-1)×nregion+1, (i-1)×nregion+2) = ADV_air_nat(i,i)
L: ADV((i-1)×nregion+1, (i-1)×nregion+3) = ADV_air_agr(i,i)
L: ADV((i-1)×nregion+1, (i-1)×nregion+4) = ADV_air_urb(i,i)
L: ADV((i-1)×nregion+1, (i-1)×nregion+6) = ADV_air_lake(i,i)
L: ADV((i-1)×nregion+1, (i-1)×nregion+8) = ADV_air_saltlake(i,i)
S: ADV((i-1)×nregion+1, (j-1)×nregion+11) = ADV_air_seawater(i,i)
L: ADV((i-1)×nregion+2, (i-1)×nregion+5) = ADV_nat_river(i,i)
L: ADV((i-1)×nregion+2, (i-1)×nregion+10) = ADV_nat_groundwater(i,i)
L: ADV((i-1)×nregion+3, (i-1)×nregion+5) = ADV_agr_river(i,i)
L: ADV((i-1)×nregion+3, (i-1)×nregion+10) = ADV_agr_groundwater(i,i)
L: ADV((i-1)×nregion+4, (i-1)×nregion+5) = ADV_urb_river(i,i)
L: ADV((i-1)×nregion+4, (i-1)×nregion+10) = ADV_urb_groundwater(i,i)
L: ADV((i-1)×nregion+5, (i-1)×nregion+3) = ADV_river_agr(i,i)
L: ADV((i-1)×nregion+5, (i-1)×nregion+6) = ADV_river_lake(i,i)
L,L: ADV((i-1)×nregion+5, (j-1)×nregion+5) = ADV_river_river(i,j)
L: ADV((i-1)×nregion+5, (i-1)×nregion+8) = ADV_river_saltlake(i,i)
L,S: ADV((i-1)×nregion+5, (j-1)×nregion+11) = ADV_river_seawater(i,j)
L: ADV((i-1)×nregion+6, (i-1)×nregion+5) = ADV_lake_river(i,i)
L: ADV((i-1)×nregion+6, (i-1)×nregion+7) = ADV_lake_lakesed(i,i)
L: ADV((i-1)×nregion+8, (i-1)×nregion+9) = ADV_saltlake_saltlakesed(i,i)
L: ADV((i-1)×nregion+9, (i-1)×nregion+8) = ADV_saltlakesed_saltlake(i,i)
58/72
Reference*
Number Equation
L: ADV((i-1)×nregion+10, (i-1)×nregion+3) = ADV_groundwater_agr(i,i)
L: ADV((i-1)×nregion+10, (i-1)×nregion+5) = ADV_groundwater_river(i,i)
L,L: ADV((i-1)×nregion+10, (j-1)×nregion+10) = ADV_groundwater_groundwater(i,j)
L,S: ADV((i-1)×nregion+10, (j-1)×nregion+11) = ADV_groundwater_seawater(i,j)
S,S: ADV((i-1)×nregion+11, (j-1)×nregion+11) = ADV_seawater_seawater(i,j)
S: ADV((i-1)×nregion+11, (i-1)×nregion+12) = ADV_seawater_seased(i,i)
S: ADV((i-1)×nregion+12, (i-1)×nregion+11) = ADV_seased_seawater(i,i)
kdeg((i-1)×nregion+1) = kdeg_air(i)
L: kdeg((i-1)×nregion+2) = kdeg_nonagr(i)
L: kdeg((i-1)×nregion+3) = kdeg_agr(i)
L: kdeg((i-1)×nregion+4) = kdeg_nonagr(i)
L: kdeg((i-1)×nregion+5) = kdeg_freshwater(i)
L: kdeg((i-1)×nregion+6) = kdeg_freshwater(i)
L: kdeg((i-1)×nregion+7) = kdeg_sed(i)
L: kdeg((i-1)×nregion+8) = kdeg_saltlake(i)
L: kdeg((i-1)×nregion+9) = kdeg_saltlakesed(i)
L: kdeg((i-1)×nregion+10) = kdeg_freshwater(i)
S: kdeg((i-1)×nregion+11) = kdeg_seawater(i)
S: kdeg((i-1)×nregion+12) = kdeg_seased(i)
L: ADV_outside((i-1)×nregion+5) = ADV_river_outside(i)
L: ADV_outside((i-1)×nregion+6) = ADV_lake_outside(i)
L: ADV_outside((i-1)×nregion+7) = ADV_lakesed_outside(i)
L: ADV_outside((i-1)×nregion+9) = ADV_saltlakesed_outside(i)
L: ADV_outside((i-1)×nregion+11) = ADV_seawater_outside(i)
L: ADV_outside((i-1)×nregion+12) = ADV_seased_outside(i)
59/72
Reference*
Number Equation
EMIS((i-1)×nregion+1) =to_air(i)
L: EMIS((i-1)×nregion+2) =to_nat(i)
L: EMIS((i-1)×nregion+3) =to_agr(i)
L: EMIS((i-1)×nregion+4) =to_urb(i)
L: EMIS((i-1)×nregion+5) =to_river(i)
L: EMIS((i-1)×nregion+6) =to_lake(i)
L: EMIS((i-1)×nregion+8) =to_saltlake(i)
S: EMIS((i-1)×nregion+11) =to_seawater(i)
∑ ( -ADV(k,j)-DIFF(k,j) )-kdeg(j)×V(j)-ADV_outside(j) i=j

Abig(i,j)=  k ≠ j
ADV(i,j)+DIFF(i,j)
i≠ j
[Abig, ADV, DIFF, kdeg, V, ADV_outside]
CONC(i)=-∑ Abig -1 (i,j)×EMIS(j)
j
[CONC, Abig, EMIS]
MASS(i)=CONC(i) ×V(i)
ENVIRONMENTAL CONCENTRATIONS
60/72
Reference*
Number Equation
C_air(i) = CONC((i-1)×nregion+1)
L: C_nat(i) = CONC((i-1)×nregion+2)
L: C_agr(i) = CONC((i-1)×nregion+3)
L: C_urb(i) = CONC((i-1)×nregion+4)
L: C_river(i) = CONC((i-1)×nregion+5)
L: C_lake(i) = CONC((i-1)×nregion+6)
L: C_lakesed(i) = CONC((i-1)×nregion+7)
L: C_saltlake(i) = CONC((i-1)×nregion+8)
L: C_saltlakesed(i) = CONC((i-1)×nregion+9)
L: C_groundwater(i) = CONC((i-1)×nregion+10)
S: C_seawater(i) = CONC((i-1)×nregion+11)
S: C_seased(i) = CONC((i-1)×nregion+12)
HUMAN EXPOSURE PARAMETERS
L: V_river*(1-Friver_frozen)+V_lake = 0: C_freshwaterfish=0
L: C_freshwaterfish = BCF_fish*(C_river*V_river*(1-Friver_frozen)+C_lake*V_lake)/
(V_river*(1-Friver_frozen)+V_lake)
C_freshwaterfish(j)×EXPORT_freshwaterfish(j)
∑
j∈L
C_freshwaterfishimp=
∑ EXPORT_freshwaterfish(j)
Reference*
EU2 (III-132)
GLOBOX
j∈L
[C_freshwaterfishimp, C_freshwaterfish, EXPORT_freshwaterfish]
S: organic, gas: C_seafish = BCF_fish*C_seawater
S: metal: C_seafish = BCF_fish*C_seawater*ACTCOEFF*FREEIONseawater
S: gas: C_seafish = 0
61/72
EU2 (III-132)
Number Equation
∑ C_seafish(j)×CATCH_seafish(j)
C_seafishaverage=
∑ CATCH_seafish(j)
Reference*
GLOBOX
j∈S
j∈S
[C_seafishaverage, C_seafish, CATCH_seafish]
L: C_leafcrops = (BCFsoil_leafcrops*C_agr)+ (BCFair_leafcrops*C_air)
C_leafcrops(j)×EXPORT_leafcrops(j)
∑
j∈L
C_leafcropsimp=
∑ EXPORT_leafcrops(j)
EU2 (III-132)
GLOBOX
j∈L
[C_leafcropsimp, C_leafcrops, EXPORT_leafcrops]
L: C_rootcrops = BCF_rootcrops*C_agr
C_rootcrops(j)×EXPORT_rootcrops(j)
∑
j∈L
C_rootcropsimp=
∑ EXPORT_rootcrops(j)
EU2 (III-130)
GLOBOX
j∈L
[C_rootcropsimp, C_rootcrops, EXPORT_rootcrops]
L: C_grass = (BCFsoil_leafcrops*C_nat)+ (BCFair_leafcrops*C_air)
L: C_meat = BCF_meat*C_grass*ICdwt_grass*CONVgrass+C_agr*ICdwt_soil*CONVagr+C_air*IC_air
C_meat(j)×EXPORT_meat(j)
∑
j∈L
C_meatimp=
∑ EXPORT_meat(j)
EU2
(III-127/132)
EU2 (III-134)
GLOBOX
j∈L
[C_meatimp, C_meat, EXPORT_meat]
L: C_dairy = BCF_milk*C_grass*ICdwt_grass*CONVgrass+C_agr*ICdwt_soil*CONVagr+C_air*IC_air
62/72
EU2
(III-134)
Number Equation
C_dairyimp=
∑ C_dairy(j)×EXPORT_dairy(j)
Reference*
GLOBOX
j∈L
∑ EXPORT_dairy(j)
j∈L
[C_dairyimp, C_dairy, EXPORT_dairy]
organic: log(Kow)≤4: fac1a = 1
organic: 4< log(Kow) ≤5: fac1a = 1/4
organic: log(Kow)>5: fac1a = 1/16
organic: log(Kow)≤4: fac2a = 1
organic: 4< log(Kow) ≤ 5: fac2a = 1/2
organic: if log(Kow)>5: fac2a = 1/4
organic: HENRY≤100: fac1b = 1
organic: HENRY>100: fac1b = 1/2
organic: HENRY≤100: fac2b = 1
organic: HENRY>100: fac2b = 1/2
organic: fac1c = 1
organic: DT50bio_freshwater>10*24*3600: fac2c = 1
organic: DT50bio_freshwater≤10*24*3600: fac2c = 1/4
organic: PURFsys1 = fac1a*fac1b*fac1c
organic: PURFsys2 = fac2a*fac2b*fac2c
organic: PURFsys1>PURFsys2: PURFsurfacew = PURFsys1
organic: PURFsys1≤PURFsys2: PURFsurfacew = PURFsys2
gas, metal: PURFsurfacew=0
organic, gas: PURFgroundw = 1
metal: PURFgroundw = 0
L: C_purfgroundw=PURFgroundw*Fdiss_inlandwater*C_groundw
L: V_river*(1-Friver_frozen)+V_lake = 0: C_purfsurfacew=0
L: V_river+V_lake > 0: C_purfsurfacew=PURFsurfacew*Fdiss_inlandwater*(C_river*V_river*(1Friver_frozen)+C_lake*V_lake)/(V_river*(1-Friver_frozen)+V_lake)
63/72
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-135)
EU2 (III-136)
EU2 (III-136)
EU2 (III-136)
Number Equation
L: V_river*(1-Friver_frozen)+V_lake = 0: C_drw = Fdrw_safe*C_purfgroundw+(1-Fdrw_safe) *Fdiss_inlandwater
*C_groundwater
L: V_river+V_lake > 0:
C_drw= Fdrw_grw× ( Fdrw_safe×C_purfgroundw+ (1-Fdrw_safe ) ×Fdiss_inlandwater×C_groundwater ) +
(
Reference*
EU2 (III-136)
(mod)
)


C_river×V_river× (1-Friver_frozen ) +C_lake×V
 (1-Fdrw_grw ) ×  Fdrw_safe×C_purfsurfacew+ (1-Fdrw_safe ) ×Fdiss_inlandwater×

V_river× (1-Friver_frozen ) +V_lake


[C_drw, Fdrw_grw, Fdrw_safe, C_purfgroundw, Fdiss_inlandwater, C_groundwater, C_purfsurfacew, C_river, V_river,
Friver_frozen, C_lake, V_lake]
L: DOSE_drw = C_drw*IH_drw/BW
L: EXP_x-PROD_x>0: REEXP_x = EXP_x-PROD_x
L: EXP_x-PROD_x<0: REEXP_x = 0

IH_x 
PROD_x-EXP_x
IMP_x
L: DOSE_x=
+C_ximp ×
 C_x ×
 with x = freshwaterfish
BW 
PROD_x-EXP_x+IMP_x
PROD_x-EXP_x+IMP_x 
L: DOSE_seafish = C_seafishaverage*IH_seafish/BW

IH_x 
PROD_x-EXP_x
IMP_x
+C_ximp ×
 C_x ×
 with x = leafcrops
BW 
PROD_x-EXP_x+IMP_x
PROD_x-EXP_x+IMP_x 
[DOSE_leafcrops, C_leafcrops, PROD_leafcrops, EXP_leafcrops, IMP_leafcrops, C_leafcropsimp]

IH_x 
PROD_x-EXP_x
IMP_x
L: DOSE_x=
+C_ximp ×
 C_x ×
 with x = rootcrops
BW 
PROD_x-EXP_x+IMP_x
PROD_x-EXP_x+IMP_x 
[DOSE_rootcrops, C_rootcrops, PROD_rootcrops, EXP_rootcrops, IMP_rootcrops, C_rootcropsimp]

IH_x 
PROD_x-EXP_x
IMP_x
+C_ximp ×
L: DOSE_x=
 C_x ×
 with x = meat
BW 
PROD_x-EXP_x+IMP_x
PROD_x-EXP_x+IMP_x 
[DOSE_meat, C_meat, PROD_meat, EXP_meat, IMP_meat, C_meat]
L: DOSE_x=
64/72
EU2 (III-136)
GLOBOX
equation
EU2 (III-136)
EU2 (III-136)
EU2 (III-136)

 

Number Equation

IH_x 
PROD_x-EXP_x
IMP_x
+C_ximp ×
 C_x ×
 with x = dairy
BW 
PROD_x-EXP_x+IMP_x
PROD_x-EXP_x+IMP_x 
[DOSE_dairy, C_dairy, PROD_dairy, EXP_dairy, IMP_dairy, C_dairy]
L: DOSE_totaloral =
DOSE_drw+DOSE_freshwaterfish+DOSE_seafish+DOSE_leafcrops+DOSE_rootcrops+DOSE_meat+DOSE_dairy
L: DOSE_air = (F_resp*IH_air/BW)*(BIO_inh/BIO_oral)*C_air
L: DOSE_total = DOSE_totaloral+DOSE_air
INTAKE_drw= ∑ DOSE_drw(j)×BW(j)×Npop(j)
L: DOSE_x=
j∈L
[INTAKE_drw, DOSE_drw, BW, Npop]
INTAKE_freshwaterfish= ∑ DOSE_freshwaterfish(j)×BW(j)×Npop(j)
j∈L
[INTAKE_freshwaterfish, DOSE_freshwaterfish, BW, Npop]
INTAKE_seafish= ∑ DOSE_seafish(j)×BW(j)×Npop(j)
j∈L
[INTAKE_seafish, DOSE_seafish, BW, Npop]
INTAKE_leafcrops= ∑ DOSE_leafcrops(j)×BW(j)×Npop(j)
j∈L
[INTAKE_leafcrops, DOSE_leafcrops, BW, Npop]
INTAKE_rootcrops= ∑ DOSE_rootcrops(j)×BW(j)×Npop(j)
j∈L
[INTAKE_rootcrops, DOSE_rootcrops, BW, Npop]
INTAKE_meat= ∑ DOSE_meat(j)×BW(j)×Npop(j)
j∈L
[INTAKE_meat, DOSE_meat, BW, Npop]
INTAKE_dairy= ∑ DOSE_dairy(j)×BW(j)×Npop(j)
j∈L
[INTAKE_dairy, DOSE_dairy, BW, Npop]
65/72
Reference*
EU2 (III-136)
EU2 (III-136)
EU2 (III-136)
EU2 (III-136)
Number Equation
INTAKE_totaloral= ∑ DOSE_totaloral(j)×BW(j)×Npop(j)
Reference*
j∈L
[INTAKE_totaloral, DOSE_totaloral, BW, Npop]
INTAKE_air= ∑ DOSE_air(j)×BW(j)×Npop(j)
j∈L
[INTAKE_air, DOSE_air, BW, Npop]
INTAKE_total= ∑ DOSE_total(j)×BW(j)×Npop(j)
j∈L
[INTAKE_total, DOSE_total, BW, Npop]
L: iF = DOSE_total*BW*Npop/EMIS
iFtot = INTAKE_total/EMIS
INTEGRATED RISK PARAMETERS
L: RCRtox_river = C_river*EFFECT_aquatox
L: RCRtox_lake = C_lake*EFFECT_aquatox
L: RCRtox_saltlake = C_saltlake*EFFECT_aquatox
L: RCRtox_soil = ((C_nat*V_nat+C_agr*V_agr+C_urb*V_urb)/(V_nat+V_agr+V_urb))*EFFECT_terrtox
L: RCRtox_lakesed = C_lakesed*EFFECT_sedtox
L: RCRtox_saltlakesed = C_saltlakesed*EFFECT_sedtox
S: organic, gas: RCRtox_seawater = C_seawater*EFFECT_marinetox
S: metal: RCRtox_seawater = C_seawater*ACTCOEFF*FREEIONseawater*EFFECT_marinetox
S: organic, gas: RCRatox_seased = C_seased*EFFECT_seasedtox
S: metal: RCRtox_seased = C_seased*ACTCOEFF*FREEIONseawater *EFFECT_seasedtox
L: RCRtox_humnoncarc = DOSE_total*EFFECThum_noncarc
L: RCRtox_humcarc = DOSE_total*EFFECThum_carc
LCA CHARACTERISATION FACTORS FOR COMBINED POTENTIAL IMPACTS
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EU2 (III-186)
EU2 (III-187)
EU1 (III-110)
Number Equation
Reference*
∑ RCRtox_river(j)×V_river(j)× (1-Friver_frozen(j) )
IPICRtox_river=
∑ V_river(j)× (1-Friver_frozen(j) )
jÎL
jÎL
[IPICRtox_river, RCRtox_river, V_river, Friver_frozen]
RCRtox_lake(j)×V_lake(j)
∑
j∈L
IPICRtox_lake=
∑ V_lake(j)
j∈L
[IPICRtox_lake, RCRtox_lake, V_lake]
RCRtox_saltlake(j)×V_saltlake(j)
∑
j∈L
IPICRtox_saltlake=
∑ V_saltlake(j)
j∈L
[IPICRtox_saltlake, RCRtox_saltlake, V_saltlake]
RCRtox_seawater(j)×V_sea(j)
∑
j∈S
IPICRtox_seawater=
∑ V_sea(j)
j∈S
[IPICRtox_seawater, RCRtox_seawater, V_sea]
RCRtox_soil(j)× ( V_nat(j)+V_agr(j)+V_urb(j) )
∑
j∈L
IPICRtox_soil=
∑ ( V_nat(j)+V_agr(j)+V_urb(j) )
j∈L
[IPICRtox_soil, RCRtox_soil, V_nat, V_agr, V_urb]
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Number Equation
IPICRtox_lakesed=
∑ RCRtox_lakesed(j)×V_lakesed(j)
j∈L
∑ V_lakesed(j)
j∈L
[IPICRtox_lakesed, RCRtox_lakesed, V_lakesed]
RCRtox_saltlakesed(j)×V_saltlakesed(j)
∑
j∈L
IPICRtox_saltlakesed=
∑ V_saltlakesed(j)
j∈L
[IPICRtox_saltlakesed, RCRtox_saltlakesed, V_saltlakesed]
RCRtox_seased(j)×V_seased(j)
∑
j∈S
IPICRtox_seased=
∑ V_seased(j)
j∈S
[IPICRtox_seased, RCRtox_seased, V_seased]
RCRtox_humnoncarc(j)×Npop(j)
∑
j∈L
IPICRtox_humnoncarc=
∑ Npop(j)
j∈L
[IPICRtox_humnoncarc, RCRtox_humnoncarc, N_pop]
RCRtox_humcarc(j)×Npop(j)
∑
j∈L
IPICRtox_humcarc=
∑ Npop(j)
j∈L
[IPICRtox_humcarc, RCRtox_humcarc, N_pop]
CFtoxpot_river = IPICRtox_river/IPICRtox_river(ref) with ref = {reference susbtance, emission region, and emission
compartment}
CFtoxpot_lake = IPICRtox_lake/IPICRtox_lake(ref) with ref = {reference susbtance, emission region, and emission
compartment}
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Reference*
Number Equation
Reference*
CFtoxpot_saltlake = IPICRsaltlake_river/IPICRtox_saltlake(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxpot_seawater = IPICRtox_seawater/IPICRtox_seawater(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxpot_soil = IPICRtox_soil/IPICRtox_soil(ref) with ref = {reference susbtance, emission region, and emission
compartment}
CFtoxpot_lakesed = IPICRtox_lakesed/IPICRtox_lakesed(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxpot_saltlakesed = IPICRtox_saltlakesed/IPICRtox_saltlakesed(ref) with ref = {reference susbtance, emission region,
and emission compartment}
CFtoxpot_seased = IPICRtox_seased/IPICRtox_seased(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxpot_humnoncarc = IPICRtox_humnoncarc/IPICRtox_humnoncarc(ref) with ref = {reference susbtance, emission
region, and emission compartment
CFtoxpot_humcarc = IPICRtox_humcarc/IPICRtox_humcarc(ref) with ref = {reference susbtance, emission region, and
emission compartment
LCA CHARACTERISATION FACTORS FOR ACTUAL IMPACTS
∑ RCRtox_river(j)×SFtox_river(j)×TFtox_river(j)×V_river(j)
IAICRtox_river=
jÎL
∑ V_river(j)
jÎL
[IAICRtox_river, RCRtox_river, SFtox_river, TFtox_river, V_river]
RCRtox_lake(j)×SFtox_lake(j)×TFtox_lake(j)×V_lake(j)
∑
j∈L
IAICRtox_lake=
∑ V_lake(j)
j∈L
[IAICRtox_lake, RCRtox_lake, SFtox_lake, TFtox_lake, V_lake]
69/72
Number Equation
∑ RCRtox_saltlake(j)×SFtox_saltlake(j)×TFtox_saltlake(j)×V_saltlake(j)
IAICRtox_saltlake=
j∈L
∑ V_saltlake(j)
j∈L
[IAICRtox_saltlake, RCRtox_saltlake, SFtox_saltlake, TFtox_saltlake, V_saltlake]
RCRtox_seawater(j)×SFtox_seawater(j)×TFtox_seawater(j)×V_sea(j)
∑
j∈S
IAICRtox_seawater=
∑ V_sea(j)
j∈S
[IAICRtox_seawater, RCRtox_seawater, SFtox_seawater, TFtox_seawater, V_sea]
∑ RCRtox_soil(j)×SFtox_soil(j)× ( TFtox_nat(j)×V_nat(j)+TFtox_agr(j)×V_agr(j)+TFtox_urb(j)×V_urb(j) )
IAICRtox_soil=
j∈L
∑ ( V_nat(j)+V_agr(j)+V_urb(j) )
j∈L
[IAICRtox_soil, RCRtox_soil, SFtox_soil, TFtox_nat, TFtox_agr, TFtox_urb, V_nat, V_agr, V_urb]
RCRtox_lakesed(j)×SFtox_lakesed(j)×TFtox_lakesed(j)×V_lakesed(j)
∑
j∈L
IAICRtox_lakesed=
∑ V_lakesed(j)
j∈L
[IAICRtox_lakesed, RCRtox_lakesed, SFtox_lakesed, TFtox_lakesed, V_lakesed]
RCRtox_saltlakesed(j)×SFtox_saltlakesed(j)×TFtox_saltlakesed(j)×V_saltlakesed(j)
∑
j∈L
IAICRtox_saltlakesed=
∑ V_saltlakesed(j)
j∈L
[IAICRtox_saltlakesed, RCRtox_saltlakesed, SFtox_saltlakesed, TFtox_saltlakesed, V_saltlakesed]
RCRtox_seased(j)×SFtox_seased(j)×TFtox_seased(j)×V_seased(j)
∑
j∈S
IAICRtox_seased=
∑ V_seased(j)
j∈S
[IAICRtox_seased, RCRtox_seased, SFtox_seased, TFtox_seased, V_seased]
70/72
Reference*
Number Equation
IAICRtox_humnoncarc=
∑ RCRtox_humnoncarc(j)×TFtox_humnoncarc(j)×Npop(j)
j∈L
∑ Npop(j)
j∈L
[IAICRtox_humnoncarc, RCRtox_humnoncarc, TFtox_humnoncarc, N_pop]
RCRtox_humcarc(j)×Npop(j)
∑
j∈L
IAICRtox_humcarc=
∑ Npop(j)
j∈L
[IAICRtox_humcarc, RCRtox_humcarc, N_pop]
CFtoxact_river = IEACRtox_river/IPICRtox_river(ref) with ref = {reference susbtance, emission region, and emission
compartment}
CFtoxact_lake = IEACRlake_river/IPICRtox_lake(ref) with ref = {reference susbtance, emission region, and emission
compartment}
CFtoxact_saltlake = IEACRsaltlake_river/IPICRtox_saltlake(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxact_seawater = IEACRtox_seawater/IPICRtox_seawater(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxact_soil = IEACRtox_soil/IPICRtox_soil(ref) with ref = {reference susbtance, emission region, and emission
compartment}
CFtoxact_lakesed = IAICRtox_lakesed/IPICRtox_lakesed(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxact_saltlakesed = IAICRtox_saltlakesed/IPICRtox_saltlakesed(ref) with ref = {reference susbtance, emission region,
and emission compartment}
CFtoxact_seased = IAICRtox_seased/IPICRtox_seased(ref) with ref = {reference susbtance, emission region, and
emission compartment}
CFtoxact_humnoncarc = IAICRtox_humnoncarc/IPICRtox_humnoncarc(ref) with ref = {reference susbtance, emission
region, and emission compartment}
CFtoxact_humcarc = IAICRtox_humcarc/IPICRtox_humcarc(ref) with ref = {reference susbtance, emission region, and
emission compartment}
71/72
Reference*
*Legend: U1 = USES 1.0 (+ page number); U2 = USES 2.0 (+ page number); EU1 = EUSES 1.00 (+ page number); EU II = EUSES 2.0
(+ page number); SB2 = SimpleBox 2.0 (+ page number); input = to be provided by the user; references: sea reference list below.
REFERENCES
Byrne R.H., L.R. Kump & K.J. Cantrell (1988) The Influence Of Temperature and pH on Trace Metal Speciation in seawater. Marine Chemistry
25: 163-181
(EU1) European Chemical Bureau (1997) EUSES, version 1.00. European Union System for the Evaluation of Substances. Environment
Institute, ECB, Joint Research Centre European Commission, EUR 17308 EN. Ispra, Italy.
(EU2) EC (2004) European Union System for the Evaluation of Substances 2.0 (EUSES 2.0). Prepared for the European Chemicals Bureau by
the National Institute of Public Health and the Environment (RIVM), Bilthoven, The Netherlands (RIVM Report no. 601900005). Available
via the European Chemicals Bureau, http://ecb.jrc.it
Morel, F.M.M. & J.G. Hering (1993) Principles and Applications of Aquatic Chemistry. Wiley, New York [etc.]
(SB2) Brandes, L.J., H. den Hollander & D. van de Meent (1996) SimpleBox 2.0: a nested multimedia fate model for evaluating the
environmental fate of chemicals. National Institute of Public Health and the Environment (RIVM), Bilthoven. Report No. 719101029. 155 p.
(U1) RIVM, VROM, WVC (1994) Uniform System for the Evaluation of Substances (USES), version 1.0. National Institute of Public Health
and Environmental Protection (RIVM), Ministry of Housing, Spatial Planning and the Environment (VROM), Ministry of Welfare, Health and
Cultural Affairs (WVC). The Hague, Ministry of Housing, Spatial Planning and the Environment. Distribution No. 11144/150. 345 p. + PC
Manual
(U2) RIVM, VROM, WVC (1998) Uniform System for the Evaluation of Substances 2.0 (USES 2.0). National Institute of Public Health and
the Environment (RIVM), Ministry of Housing, Spatial Planning and the Environment (VROM), Ministry of Health, Welfare and Sports
(VWS). The Netherlands. RIVM report 679102044.
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