STOMP

Initial Conditions Options (CO2E)

STOMP-CO2E is designed to solve problems involving the transport of heat, water, CO2, and salt with passive solutes or reactive species through variably saturated geologic media under nonisothermal 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-CO2E there are four degrees of freedom, requiring the specification of four independent variables to define the state condition.  For example the state condition can be established by specifying the temperature, aqueous pressure, aqueous saturation, and dissolved salt concentration.  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, gas pressure, and dissolved salt concentration; or temperature, gas pressure, aqueous saturation, and dissolved salt concentration.  For aqueous saturated conditions with trapped gas, the state condition can be determined from the temperature, aqueous pressure, trapped gas saturation, and dissolved salt concentration.  The first requirement in specifying the system state and initial conditions is to specify which parameter set will be used.  Options for specifying the saturation-pressure variable set is shown in the Initial Conditions - Saturation Pressure Option section.  There are two types of initial condition variables for STOMP-CO2E 1) State Variables and 2) Species Variables.  

Initial Conditions - Saturation-Pressure Option

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Hydrostatic

The hydrostatic option triggers the generation of hydrostatic pressure conditions for all active grid cells, from a reference aqueous pressure and x,y,z location in space; reference temperature, z location in space, and geothermal gradient; reference dissolved salt concentration, z location in space and geosalinity gradient. State variables specified under the State Variable Options will overwrite the values determined from the hydrostatic conditions.

Aqueous Saturation-Aqueous Pressure

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

Initial Conditions - State Variable Options

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Aqueous CO2 Concentration

The concentration (i.e., kg of CO2/m3 aqueous) of CO2 that is dissolved in the aqueous phase at the volumetric centroid of the grid cell.  The value should be between 0.0 and the solubility limit for CO2 as a function of temperature, pressure, and salinity.

Aqueous CO2 Mass Fraction

The mass fraction of CO2 that is dissolved in the aqueous phase at the volumetric centroid of the grid cell.  The value should be between 0.0 and the solubility limit for CO2 as a function of temperature, pressure, and salinity.

Aqueous CO2 Relative Saturation

The relative amount of CO2 that can be dissolved in the aqueous phase as a function of temperature, pressure, and salinity at the volumetric centroid of the grid cell.  The value should be between 0.0 and 1.0.

Aqueous CO2 Mass Fraction

The mass fraction of CO2 that is dissolved in the aqueous phase at the volumetric centroid of the grid cell.  The value should be between 0.0 and the solubility limit for CO2 as a function of temperature, pressure, and salinity.

Aqueous Pressure

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

Aqueous Salt Concentration

The concentration (i.e., kg of salt/m3 aqueous) of salt that is dissolved in the aqueous phase as a function of temperature and pressure at the volumetric centroid of the grid cell.  The value should be between 0.0 and the solubility limit for salt as a function of temperature and pressure.

Aqueous Salt Mass Fraction

The relative amount of salt that can be dissolved in the aqueous phase as a function of temperature and pressure at the volumetric centroid of the grid cell.  The value should be between 0.0 and the solubility limit for salt as a function of temperature and pressure.

Aqueous Salt Relative Saturation

The relative amount of salt that can be dissolved in the aqueous phase as a function of temperature and pressure at the volumetric centroid of the grid cell.  The value should be between 0.0 and 1.0.

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.

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.

Salt Molality

Molality of salt dissolved in the aqueous phase (i.e., moles of salt/kg water). The value should be between 0.0 and the solubility limit for salt as a function of temperature and pressure.

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 maximum trapped gas saturation.  The maximum trapped gas saturation is specified via the Saturation Function Card.

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.

Initial Conditions - Species Variable Options

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ECKEChem

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

Species Aqueous Concentration

Species aqueous concentration, in terms of moles of species per mass of aqueous phase at the volumetric centroid of the grid cell.  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 Gas Concentration

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

Species Volumetric Concentration

Dirichlet-type boundary where the solute concentration, in terms of solute per grid-cell volume, of the solute is specified at the boundary surface centroid.  Solutes migrate across the boundary surface only via aqueous phase advection in the direction opposite of the boundary-surface normal (i.e., into the domain).

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.

Initial Conditions - Parameter Specification Options

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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.

External Binary 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.

External Text (ASCII) 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.

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