11.3 Simple Constituents

As described in Section 11.1, reactive contaminants may be treated as simple constituents. That is, all reactions are simple first order reactions with user specified kinetic rates (K). There is no limit on the number of simple constituents that can be simulated at one time.

11.3.1 Overland Flow Plane

For the overland flow plane kinetic rates and other inputs are specified in the MAPPING_TABLE_FILE. For each contaminant a single value of rainfall concentration (mg L^-1) is specified. All other input values are distributed both by constituent and location on the overland flow plane with the index map and mapping table values. The following table inputs are required.

Dispersion coefficient (m² s^-1)
Decay coefficient K (d^-1)
Uptake coefficient K_u (m d^-1)
Initial loading (Kg) or (mg Kg^-1)
Groundwater concentration (g m^-3)
Initial concentration (g m^-3)
Soil water distribution coefficients K_d (L Kg^-1)
Solubility C_max (g m^-3)

See Section 13 for details on the MAPPING_TABLE inputs.

Three types of reactions can take place on the overland flow plane:

uptake from land surface,
uptake from soil,
decay.

1) The uptake coefficient controls movement of contaminants into the overland flow based on the concentration deficit (solubility of the constituent and the concentration in solution). The mass flux (F) (g s^-1) is computed as:

F=K_u A(C_max -C)/86400.0

Where C is the concentration of contaminant in the ponded surface water, and A is the area of the computational grid cell (m²). The value 86400.0 converts the reaction rate into (m s^-1).

2) If SOIL_CONTAM is included in the project file K_u is the transfer rate between the soil pore water and the water ponded on the land surface. In this case the mass flux (F) (g s^-1) is calculated as:

F=K_u A(C_ponded-C_soil)/86400.0

Where: C_ponded is the concentration in the water ponded on the soil surface, C_soil is the concentration in the soil pore water. The value 86400.0 changes the reaction rate from per day to per second. As can be seen in the equation, the direction of the flux is dependent on the relationship between the concentration of the surface water to the soil pore water volume.

For contaminants dissolved in the soil column, the uptake coefficient can be estimated from Thibodeaux, Environmental Chemodynamics 2nd Ed., Wiley, New York, 1996, pp. 276-277 using the relation:

K_u = D n^4/3/(0.5 d_ml)

where D is the diffusion coefficient of the chemical in water (m²s^-d), n is the porosity, d_ml is the mixing layer depth (m).

Thibodeaux list a diffusion coefficient for nitrates of 0.000164 m²s^-d. For a typical soil with porosity of 0.4 and a mixing layer depth of 0.1 m, the uptake coefficient is 0.00048 m d^-1. Lerman, Geophysical Processes, Wiley, New York, 1979, pp. 73-121, lists diffusion coefficients for common ions.

3) Contaminants dissolved in surface water decay at the rate:

F=KCV/86400.0

where V is the volume (m³), A times the depth.

11.3.2 Channels

For channels, the only reaction is decay, calculated as above. The decay coefficient can be set as a uniform value for every stream node by specifying the value (d^-1) with the CHAN_DECAY card. In addition to setting the rate, the dispersion coefficient (m²s^-1) can be defined with the CHAN_DISP_COEF card. Inital values (g m^-3) can be specified with the INIT_CHAN_CONC card. The default value for each of these is zero.

11.3.3 Soil Column

When transport in the soil is specified with the SOIL_CONTAM card, exchange between the top soil layer and the surface water occurs, as well as decay in the soil pore water. The reactions are the same as described above for overland flow. The soil water distribution coefficient controls the pore water concentration. The fraction of the total that is dissolved is: