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| − | In MOHID the distribution of contaminants is parameterized by using the ratio between the adsorbed particulate concentration and the dissolved concentration. Physically, the partition coefficient (Johansson et al., 2001) illustrates particle affinity and represents the chemical equilibrium of numerous processes such adsorption onto particulate matter, precipitation and dissolution. Pollutants transport in the adsorbed phase is strongly connected with cohesive sediment transport due to the affinity of many contaminants for the solid phase. Once adsorbed to the sediments, these substances are transported by the sediments (Fernandes L., 2005).
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| − | In MOHID the partition coefficient is defined through a keyword (keyword PARTITION_FRACTION). The concentration of the contaminant in the water is described by the following equations (1) and (2):
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| − |
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| − | [[File:Image001.gif]] (1)
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| − |
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| − | [[File:EquationMetals2.gif]] (2)
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| − |
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| − | where:
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| − |
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| − | Cd is the concentration of the contaminant in the dissolved phase (mol/l)
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| − | Cp is the concentration of the contaminant in the particulate phase (mol/l)
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| − | r is the transfer rate from particulate to dissolved phase (1/sec) (keyword PARTITION_RATE)
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| − | pd is the dissolved fraction (dimensionless)
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| − | ps is the solid fraction (dimensionless)
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| − |
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| − | For each contaminant phase it is necessary to specify opposite phase through the keyword PARTITION_COUPLE. For example, for the contaminant dissolved arsenic, the opposite phase is particulate arsenic.
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| − | It is assumed that particulate and dissolved phases must have equal partition rates. Also, the sum of particulate and dissolved phases’ fractions must be equal to 1.
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| − |
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| − | In MOHID, the transfer rate depends on the cohesive sediment concentration. A coefficient Rs is defined as
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| − |
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| − | [[File:Rs_metals.Gif]] (3)
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| − |
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| − | SedimentRefConcentration is a cohesive sediment reference concentration (keyword SED_REF_CONC). Particulate and dissolved phases of the same contaminant must have equal cohesive sediment reference concentration.
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| − | The transfer rate is equal to r for Rs > 1 and equal to r x Rs for Rs<1
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| − |
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| − |
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| − | == Example input files ==
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| − |
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| − | == File WaterProperty_X.dat ==
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| − |
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| − | OUTPUT_TIME : 0. 3600.
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| − |
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| − | <beginproperty>
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| − | NAME : cohesive sediment
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 1
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 5.
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 15.
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| − | IS_COEF : 0.001
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| − | PARTITION : 0
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 1
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| − | BOTTOM_FLUXES : 1
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate copper
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 1
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.0
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 1
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| − | BOTTOM_FLUXES : 1
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.7
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : dissolved copper
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : dissolved copper
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 0
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.02
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.02
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 0
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| − | BOTTOM_FLUXES : 0
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.3
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : particulate copper
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate zinc
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 1
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.0
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 1
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| − | BOTTOM_FLUXES : 1
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.7
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : dissolved zinc
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : dissolved zinc
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 0
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.02
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.02
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 0
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| − | BOTTOM_FLUXES : 0
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.3
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : particulate zinc
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate metal
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 1
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.0
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 1
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| − | BOTTOM_FLUXES : 1
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.7
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : dissolved metal
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : dissolved metal
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| − | UNITS : mg/l
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| − | DESCRIPTION : No description was given.
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| − | PARTICULATE : 0
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| − | BOUNDARY_INITIALIZATION : EXTERIOR
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| − | DEFAULTBOUNDARY : 0.02
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| − | BOUNDARY_CONDITION : 2
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| − | ADVECTION_DIFFUSION : 1
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| − | ADVECTION_H_IMP_EXP : 0
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.02
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| − | IS_COEF : 0.001
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| − | PARTITION : 1
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| − | DISCHARGES : 1
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| − | VERTICAL_MOVEMENT : 0
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| − | BOTTOM_FLUXES : 0
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| − | OUTPUT_HDF : 1
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | PARTITION : 1
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| − | PARTITION_FRACTION : 0.3
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| − | PARTITION_RATE : 5e-5
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| − | PARTITION_COUPLE : particulate metal
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| − | USE_SED_REF_CONC : 1
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| − | SED_REF_CONC : 2.
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| − | <endproperty>
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| − |
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| − |
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| − | == File InterfaceSedimentWater_X.dat ==
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| − |
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| − | OUTPUT_TIME : 0 3600
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| − |
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| − | <begin_rugosity>
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.0025
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| − | <end_rugosity>
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| − |
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| − | <begin_critical_shear_erosion>
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.2
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| − | <end_critical_shear_erosion>
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| − |
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| − | <begin_critical_shear_deposition>
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.1
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| − | <end_critical_shear_deposition>
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| − |
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| − | <begin_erosion_rate>
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.00005
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| − | <end_erosion_rate>
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| − |
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| − |
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| − | <beginproperty>
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| − | NAME : cohesive sediment
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| − | UNITS : kg/m2
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| − | DESCRIPTION : cohesive sediment mass
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| − | PARTICULATE : 1
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| − | WATER_FLUXES : 1
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| − | EROSION : 1
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| − | DEPOSITION : 1
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| − | MASS_LIMITATION : 1
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| − | MASS_MIN : 0.
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.00001
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | OUTPUT_HDF : 1
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate copper
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| − | UNITS : kg/m2
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| − | DESCRIPTION : PON mass
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| − | PARTICULATE : 1
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| − | WATER_FLUXES : 1
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| − | EROSION : 1
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| − | DEPOSITION : 1
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| − | MASS_LIMITATION : 1
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| − | MASS_MIN : 0.
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | OUTPUT_HDF : 1
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate zinc
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| − | UNITS : kg/m2
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| − | DESCRIPTION : PON mass
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| − | PARTICULATE : 1
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| − | WATER_FLUXES : 1
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| − | EROSION : 1
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| − | DEPOSITION : 1
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| − | MASS_LIMITATION : 1
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| − | MASS_MIN : 0.
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | OUTPUT_HDF : 1
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate metal
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| − | UNITS : kg/m2
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| − | DESCRIPTION : PON mass
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| − | PARTICULATE : 1
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| − | WATER_FLUXES : 1
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| − | EROSION : 1
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| − | DEPOSITION : 1
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| − | MASS_LIMITATION : 1
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| − | MASS_MIN : 0.
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| − | INITIALIZATION_METHOD : CONSTANT
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| − | DEFAULTVALUE : 0.
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| − | TIME_SERIE : 0
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| − | BOX_TIME_SERIE : 0
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| − | OUTPUT_HDF : 1
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| − | <endproperty>
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| − |
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| − |
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| − | == File FreeVerticalMovement_X.dat ==
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| − |
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| − |
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| − | <beginproperty>
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| − | NAME : cohesive sediment
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| − | WS_VALUE : 0.00001
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| − | WS_TYPE : 1
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| − | DEPOSITION : 1
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate copper
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| − | WS_VALUE : 0.00001
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| − | WS_TYPE : 1
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| − | DEPOSITION : 1
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| − | <endproperty>
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| − |
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| − |
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| − | <beginproperty>
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| − | NAME : particulate zinc
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| − | WS_VALUE : 0.00001
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| − | WS_TYPE : 1
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| − | DEPOSITION : 1
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| − | <endproperty>
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| − |
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| − | <beginproperty>
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| − | NAME : particulate metal
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| − | WS_VALUE : 0.00001
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| − | WS_TYPE : 1
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| − | DEPOSITION : 1
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| − | <endproperty>
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| − |
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| − |
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| − |
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| − | == File Discharges_X.dat ==
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| − |
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| − | <begindischarge>
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| − | NAME : Discharge
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| − | I_CELL : 28
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| − | J_CELL : 8
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| − | K_CELL : 1
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| − | ALTERNATIVE_LOCATIONS : 1
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| − | DEFAULT_FLOW_VALUE : 50
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| − |
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| − | <<beginproperty>>
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| − | NAME : cohesive sediment
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| − | UNITS : psu
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| − | DEFAULTVALUE : 50
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : particulate copper
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : dissolved copper
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : particulate zinc
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : dissolved zinc
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : particulate metal
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <<beginproperty>>
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| − | NAME : dissolved metal
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| − | UNITS : mg/l
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| − | DEFAULTVALUE : 0.02
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| − | <<endproperty>>
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| − |
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| − | <enddischarge>
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| − |
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| − |
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| − | == References ==
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| − |
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| − |
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| − | Johasson, H., Lindstrom, M., Hakanson, L., (2001). On the Modelling of particulate and dissolved fractions of substances in aquatic systems – sedimentological and ecological interactions, Ecological Modelling, 137, 225-240
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| − |
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| − | Fernandes L., (2005). Modelling of arsenic Dynamics in the Tagus Estuary. MSc dissertation thesis. Technical University of Lisbon.
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