Geochemical cycling modeling
Abiotic multicompartmental modeling – examples from the EU POPCYCLING project
Biotic food chain modeling – examples from the AMAP project
N:\adm\arkiv\overhead\2006\CEE\Yale-8.ppt 1
Model Region
advectiveinflow
lossloss
sourcessources
evaporationevaporationdepositiondeposition
advectiveoutflow
lossloss
AtmosphereAtmosphere
Marine SystemMarine System
evaporationevaporationdepositiondeposition
Terrestrial SystemTerrestrial System
lossloss
run-offrun-off
The POPCYCLING-Baltic model aims to quantify the pathways of POPs from theterrestrial environment to the marine environment via atmosphere and rivers.
aquatic model catchment modelWater
Atmosphere
Vegetation
Water
FreshWater
Sediment
Soil
Sediment
system boundary
The system of a catchment model includes the drainage basin of the water body and the atmosphere above it.
T1 Bothnian Bay
T2 Bothnian Sea
T4 Neva
T3 Gulf of Finland
T5 Gulf of
Riga
T6 Southern
Baltic Proper
T7 Swedish
Baltic Proper
T8 Danish Straits
T9 Kattegat
T10 Skagerrak
C1 Coastal
Bothnian Bay
C2 Coastal
Bothnian Sea C4
Neva
C3 Coastal Gulf of Finland
C5 Gulf of
Riga
C6 Southern
Baltic Proper
C7 Swedish
Baltic Proper
C8 Danish Straits
C9 Kattegat
C10 Coastal
Skagerrak
O1 Open
Bothnian Bay
O2 Open
Bothnian Sea
O3 Open
Gulf of Finland
O6 Open
Skagerrak O4 OpenBaltic Proper
O5Bottom
water
A1 North
A2 East
A3 South
A4 West
Maps showing the compartmentalisation of the terrestrial (A), marine (B) and atmospheric (C) environment of the Baltic Sea drainage basin in the POPCYCLING-Baltic model. Each of the ten terrestrial units is represented by five compartment (agricultural soil, forest soil, forest canopy, fresh water,fresh water sediment), each of the marine units by a water and a sediment compartment.
agriculturalagriculturalsoilsoil
forestforestsoilsoil
forestforestcanopycanopy
fresh waterfresh water
coastalcoastalsedimentsediment
coastalcoastalwaterwater
open open waterwater
bottombottomwaterwater
bottombottomsedimentsediment
atmosphere
interphase transferdirect emissiondegradation lossadvection with air and water
Terrestrial Environment Marine Environment
fresh water sedimentfresh water sediment
Schematic representation of the types of environmental compartments in the POPCYCLING-Baltic model and how they are connected by diffusive and advective transport terms. A chemical can bereleased into six types of compartments, and degradation can occur in all types of media.
Water Mass Balance
POC Mass Balance
Contaminant Mass Balance
Air Mass Balance
Solving the mass balance for a POP requires the construction of mass balances for air,water and particulate organic carbon (POC).
North
East
South
WestO to W
W to O
E to O
O to E
O to N N to O
E to N N to E
W to S
S to W
O to S S to O
W to N
N to W
S to EE to S
Sixteen atmospheric advection rates are used to describe the movement of air across theBaltic Sea drainage basin in the POPCYCLING-Baltic model (O stands for “outside of the model system”).
0
5
10
15
20
25
30
35
0 50 100 150 200 250 300 350
Julian Day
air r
esid
ence
tim
e in
hou
rs
West
EastSouth
North
Seasonal variability of the residence time of air in the four atmospheric compartments of the POPCYCLING model. The residence time is lower in the Western air compartment because of its smaller size.
0123456789
1 2 3 4 5 6 7 8 9 10 11 12month
OH
con
cent
ratio
n in
105 c
m-3 South
West
East
North
Seasonal functions defining the OH radical concentration in the four atmosphericCompartments of the POPCYCLING model.
atmosphere
agriculturalsoil
forestsoil
forestcanopy
fresh water
wGFAwGAF
wGFB
wGEAwGAE
wGBA
wGBW wGEWwGWC
wGWAwGAW
Water Balance in the Terrestrial Environment
wGAF precipitation to canopywGFA evaporation from canopywGFB throughfall/stem flowwGBA evaporation from forest soilwGBW run-off/leaching from forest soilwGAE precipitation to agricultural soilwGEA evaporation from agricultural soilwGBW run-off/leaching from agricultural soilwGAW precipitation to fresh waterwGWA evaporation from fresh waterwGWC riverine run-off
Water fluxes between the compartments of a drainage basin.
winterspring
summerfall
winter
deciduous canopyseasonality caused by changes in atmospheric stabilityand by seasonality of canopy development
coniferous canopy and soilsseasonality caused by changes in atmospheric stability
deposition velocities
Schematic representation of the seasonal dependence of the deposition velocities in the terrestrial environment. During winter, summer average, i.e. maximum, values for vD are reduced by a factordescribing the relative stability of the atmosphere, and spring and fall defined as linear functionsconnecting summer and winter values.
litter fall
winterspring
summerfall
winter
deciduous
coniferous
canopy volume
winterspring
summerfall
winter
deciduous
coniferous
Schematic representation of the seasonal dependence of the volume of the forest canopy VFand the litter fall advection term GFB .
O156 m
24.5·10³ km²1371 km3
462 days
O2 73 m
62·10³ km²4528 km3
1084 days
O344 m
18.6·10³ km²820 km3
369 days
C5Gulf of Riga
22.7 m16.4·10³ km²
372 km3
2025 days
O5Bottom Water
38 m177·10³ km²
6722 km3
1668 days
14711000
249457
104207
139
255
37
67
510
Index Sub-Basinaverage depthsurface areawater volumeresidence time evaporation
precipitationriverine inflow
interbasin flow
2533
911
10
1130
1414
942
C25.8 m
22.9·10³ km²133 km3
46 days
964
106012
1395
C18.3 m
15·10³ km²125 km³47 days
876
9757
898
C7 Swedish Coast
7.9 m20.7·10³ km²
163 km3
45 days
1314
133212
1317
471
471
O4 Surface Water
30 m177·10³ km²
5307 km3
305 days
C6 Southern Coast
8.7 m32.2·10³ km²
280 km3
45 days16
1891
22822190
C35.7 m
11.6·10³ km²66 km3
43 days
526563
6
736
C4Neva1.0 m
0.3·10³ km²0.3 km3
1 day
108
310.2
0.277
Bothnian Bay
C8 Danish Straits
14.3 m20.1·10³ km²
288 km3
37 days
C9 Kattegat23.1 m
22.3·10³ km²515 km3
47 days
19291447
12
1629
11
148
O6255 m
26.4·10³ km²6730 km3
137 days
25732058
15585
14989
NorthSea 8
18
C10 7.8 m
7.0·10³ km²55 km3
47 days
350422
4
571
Skagerrak
Baltic Proper
Bothnian SeaGulf of Finland
Long term average water balance for the Baltic Sea as used in the POPCYCLING-Baltic model.All fluxes are given in units of km3/a.
sedimentsediment
waterwater
oGresoGsed
oGpro
oGout
oGin
oGmiw
oGmis
oGbur
POC Balance in the Aquatic Environment
oGpro primary production of POC within systemoGin import of POC from outside the systemoGout export of POC out of the systemoGmiw POC mineralisation in the water columnoGsed POC settling to the sedimentsoGres POC resuspension from sedimentsoGmis POC mineralisation in surface sedimentoGbur POC sediment burial
A particulate organic carbon mass balance was constructed for 25 aquatic systems(10 fresh water, 10 coastal and 5 open water systems) within the Baltic Sea region.
O1
O2
O3
C5
O5
281191
47.687.2
19.839.6
26.6
48.8
7.0
24.2
Index Sub-Basin riverine inflow
interbasin flow
15.0270
340
C2184
383
47.5
C1167
352
33.4
C7 251
481
11.4
170
170
O4
C6 45.3
824418
C3
100203
18.2
C454
5.9
31.0
Bothnian Bay
C8
C9
696522
12.4
4.1
O6
929393
2977
4497
NorthSea
C10
66.9152
35.4
Skagerrak
Baltic Proper
Bothnian SeaGulf of Finland
Advective fluxes of POC with river water and between basins in kt/a.
-15
-10
-5
0
5
10
15
20
1 3 5 7 9 11
North
East
South
West
TA
-15
-10
-5
0
5
10
15
20
1 3 5 7 9 11
Bothnian BayBothnian SeaGulf of FinlandNevaGulf of RigaSouthern Baltic ProperSw edish Baltic ProperDanish StraitsKattegatSkagerrak
TT
-15
-10
-5
0
5
10
15
20
1 3 5 7 9 11
Bothnian Bay
Bothnian SeaGulf of Finland
NevaGulf of Riga
Southern Baltic ProperSw edish Baltic Proper
Danish StraitsKattegat
Skagerrak
TC
-15
-10
-5
0
5
10
15
20
1 3 5 7 9 11
Bothnian Bay
Bothnian Sea
Gulf of Finland
Baltic Proper
Bottom Water
Skagerrak
TO
Seasonal temperatures in the atmospheric, terrestrial, coastal and open water units of thePOPCYCLING model in units of °C.
0
1
2
3
4
5
6
7
8
9
1 2 3 4 5 6 7 8 9 10 11 12
Bothnian Bay Bothnian Sea
Gulf of Finland NevaGulf of Riga Southern Baltic Proper
Sw edish Baltic Proper Danish StraitsKattegat Skagerrak
WST
0
1
2
3
4
5
6
7
8
9
1 2 3 4 5 6 7 8 9 10 11 12
Bothnian Bay Bothnian Sea
Gulf of Finland NevaGulf of Riga Southern Baltic Proper
Sw edish Baltic Proper Danish StraitsKattegat Skagerrak
WSC
0
1
2
3
4
5
6
7
8
9
1 2 3 4 5 6 7 8 9 10 11 12
Bothnian Bay Bothnian Sea
Gulf of Finland Baltic Proper
Skagerrak
WSO
Seasonal wind speeds over the terrestrial, coastal and open water units of thePOPCYCLING model in units of m/s.
0
200
400
600
800
1000
1200
1400
1600
1980 1982 1984 1986 1988 1990 1992 1994 1996 1998 2000
conc
entr
atio
n of
-H
CH
in a
ir in
pg/
m3
estimated inflowno inflowinflow = outflowmeasured minmeasured maxmeasured mean
Concentrations in the Western Atmospheric Compartment North
East
South
West16.8
7.2
21.6
10.7
12.7 13.6
5.0 7.3
11.4
6.2
13.6 13.1
8.4
4.6
11.64.5
Atmospheric concentrations of -HCH in the western air compartment of the POPCYCLING-Baltic model.Shown are measured data from various locations in southern Scandinavia and calculated concentrationsobtained with three different boundary conditions (see text for detail). On the bottom, advectiveAtmospheric fluxes of -HCH in kt are shown for the time period 1970-2000.
a) b)
0
2
4
6
8
10
12
14
16
18
20
1980 1985 1990 1995 2000
sea
wat
er c
once
ntra
tions
of
-HC
H in
ng/
L
Bothnian BayBothnian SeaGulf of FinlandBaltic ProperBaltic BottomSkagerrakmeasured in North Seameasured in Baltic Sea
Concentrations in the Open Water Compartments
0
1
2
3
4
5
6
7
8
1980 1985 1990 1995 2000
air/o
pen
wat
er fu
gaci
ty ra
tio
SkagerrakBaltic Proper
Air Water Equilibrium in the Western Atmospheric Region
Open sea water concentrations of -HCH calculated for various water com-partments of the POPCYCLING-Balticmodel, compared to measured levels for the Baltic Sea and North Sea reported by Gaul (1992). Skagerrak and the bottom water of the Baltic Proper have lower simulated levels than the other open water compartments. In the lower graph, the calculated air-water fuga-city ratio for -HCH, indicating the equilibrium status between atmosphere and sea water, is shown for the Skagerrak and the Baltic Proper. Whereas the latter is in chemical equilibrium, net diffusive gas absorption of -HCH occurs in the former.
a) b)
0
10
20
30
40
emis
sion
s
atm
osph
ere
fore
st c
anop
y
agric
ultu
ral s
oil
fore
st s
oil
coas
tal w
ater
open
wat
er
deep
wat
er
coas
tal s
edim
ent
deep
sed
imen
t
PCB
com
posi
tion
in %
of s
um o
f 7 c
onge
ners
PCB-28PCB-52PCB-101PCB-118PCB-138PCB-153PCB-180
Average congeneric composition of the PCBs (% of sum of seven congeners) in various environmental media of the Baltic Sea environment calculated for the year 1995.
0
10
20
30
40
Bot
hnia
n B
ay
Bot
hnia
n S
ea
Gul
f of F
inla
nd
Bal
tic P
rope
r
Bal
tic P
rope
r(B
otto
m)
Ska
gerr
ak
PCB
com
posi
tion
in %
of s
um o
f 7 c
onge
ners
PCB-28
PCB-52
PCB-101
PCB-118
PCB-138
PCB-153
PCB-180
Average congeneric composition of the PCBs (% of sum of seven congeners) in various open water compartments of the Baltic Sea environment calculated for the year 1995.
0.0
0.5
1.0
1.5
2.0
2.5
fore
st c
anop
y
coas
tal w
ater
open
wat
er
coas
tal
sedi
men
t
deep
sed
imen
t
open
soi
l
fore
st s
oil
conc
entr
atio
n re
lativ
e to
Bal
tic e
nviro
nmen
t ave
rage
Bothnian Bay
Bothnian Sea
Gulf of Finland
Baltic Proper
Skagerrak
Concentrations of the sum of seven PCBs in various compartments in 1995, normalised tothe average of the concentrations in that compartment in the entire Baltic Sea environment.