STOMP

Initial Conditions Card Options (W)

STOMP-W is designed to solve problems involving the flow of water with passive solutes or reactive species through variably saturated geologic media under isothermal conditions. The Initial Conditions Card for this operational mode is used to specify the state of the system at the start of the simulation. For STOMP-W there are three degrees of freedom, requiring the specification of three independent variables to define the state condition. For example, the state condition can be established by specifying the temperature, aqueous pressure, and aqueous saturation. Alternatively, as the relationship between aqueous saturation and capillary head are known via the Saturation Function Card, the state condition can be established by specifying the temperature, aqueous pressure, and gas pressure; or temperature, gas pressure, and aqueous saturation. For aqueous saturated conditions with trapped gas, the state condition can be determined from the temperature, aqueous pressure and trapped gas saturation.  

Saturation-Pressure Variable Set Options

Aqueous Saturation-Aqueous Pressure

The aqueous saturation and aqueous pressure will be specified. The gas pressure will be computed from s-P function specified in the Saturation Function Card.

Moisture Content-Aqueous Pressure

The aqueous moisture content and aqueous pressure will be specified. The aqueous saturation will be determined from the aqueous moisture content and the diffusive porosity specified in the Mechanical Properties Card. The gas pressure will be computed from s-P function specified in the Saturation Function Card.

Aqueous Saturation-Gas Pressure

The aqueous saturation and gas pressure will be specified. The aqueous pressure will be computed from s-P function specified in the Saturation Function Card.

Moisture Content-Gas Pressure

The aqueous moisture content and gas pressure will be specified. The aqueous saturation will be determined from the aqueous moisture content and the diffusive porosity specified in the Mechanical Properties Card. The aqueous pressure will be computed from s-P function specified in the Saturation Function Card.

Aqueous Pressure-Gas Pressure

The aqueous pressure and gas pressure will be specified.  The aqueous saturation will be computed from s-P function specified in the Saturation Function Card.

State Variable Options

Aqueous Pressure

Aqueous pressure at the volumetric centroid of the grid cell. The value should be specified in terms of absolute pressure.

Aqueous Saturation

The aqueous + trapped gas saturation of the grid cell. The value should be between the residual aqueous saturation and 1.0, unless the s-P function has been extended to saturations below the residual aqueous saturation. In this case, the value should be between 0.0 and 1.0.

Gas Pressure

Gas pressure at the volumetric centroid of the grid cell. The value should be specified in terms of absolute pressure.

Moisture Content

The aqueous + trapped gas content of the grid cell. The value should be between the residual aqueous moisture content and diffusive porosity, unless the s-P function has been extended to saturations below the residual aqueous saturation. In this case, the value should be between 0.0 and the diffusive porosity. The diffusive porosity is defined via the Mechanical Properties Card.

Temperature

Temperature at the volumetric centroid of the grid cell.  For STOMP-W, the temperature should be between the triple point 0.01˚C and the critical point 374.14˚C.

Trapped Gas Saturation

The actual trapped gas saturation of the grid cell. The value should be between 0.0 and the maximum trapped gas saturation. The maximum trapped gas saturation is specified via the Saturation Function Card.

Relative Trapped Gas Saturation

The relative trapped gas saturation of the grid cell. The value should be between 0.0 and 1.0. A value of 0.0 indicates no trapped gas and a value of 1.0 indicates full gas entrapment. The maximum trapped gas saturation is specified via the Saturation Function Card.

Info

Overwrite

When the keyword "overwrite" is included with any of the above options during a restart simulation, the specified values will overwrite those from the restart file.

Solute Variable Options

Solute Volumetric Concentration

Solute concentration per grid-cell volume at the volumetric centroid of the grid cell. The value should be greater than 0.0 and the units for solutes need to be consistent across all input cards.

Solute Aqueous Volumetric Concentration

Solute concentration per aqueous volume at the volumetric centroid of the grid cell. The value should be greater than 0.0 and the units for solutes need to be consistent across all input cards.

Solute Volumetric Concentration Bulk Density

Solute concentration per grid-cell volume at the volumetric centroid of the grid cell, but will calculate the solid and aqueous phases based on the solute partition coefficient and the soil bulk density. This option is helpful for setting initial conditions based on measured soil concentrations. The value should be greater than 0.0 and the units for solutes need to be consistent across all input cards.

Solute Aqueous Volumetric Concentration Bulk Density

Solute concentration per aqueous volume at the volumetric centroid of the grid cell, but will calculate the solid and aqueous phases based on the solute partition coefficient and the soil bulk density. This option is helpful for setting initial conditions based on measured soil concentrations. The value should be greater than 0.0 and the units for solutes need to be consistent across all input cards.

Info

Overwrite

When the keyword "overwrite" is included with any of the above options during at restart simulation, the specified values will overwrite those from the restart file.

Species Variable Options

Species Volumetric Concentration

Species volumetric concentration, in terms of moles of species per grid-cell volume. The value should be greater than or equal to 0.0.

Species Aqueous Molal Concentration

Species aqueous concentration, in terms of moles of species per kg of water at the volumetric centroid of the grid cell. The value should be greater than or equal to 0.0.

Species Aqueous Volumetric Concentration

Species aqueous volumetric concentration, in terms of moles of species per aqueous volume at the volumetric centroid of the grid cell.  The value should be greater than or equal to 0.0.

Info

Overwrite

When the keyword "overwrite" is included with any of the above options during at restart simulation, the specified values will overwrite those from the restart file.
Warning

ECKEChem 

Species are reactive and require the ECKEChem Module to be implemented in the simulator.

Parameter Specification Options

Direct Input

Parameters are read directly from the input file with an associated domain and directional gradients.

Rock/Soil Zonation

Parameters are associated with a rock/soil type. All grid cells with the specified rock/soil type are assigned the specified parameter value.

Formatted (ASCII) External Text File

Parameters are read from an external file in text format. This option requires one parameter be specified for every node, following the I-J-K indexing order.

Binary External File

Parameters are read from an external file in binary format. This option requires one parameter be specified for every node, following the I-J-K indexing order.

IJK Indexed External File

This option allows the user to specify initial conditions for a subset of the domain. Parameters are read from an external file in text format. This option requires the external file to contain the IJK index and the initial value for the subset of nodes being set for a particular intitial condition type.

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