KineticDisPreRateAux

Kinetic rate of secondary kinetic species

Calculates the kinetic reaction rate based on transition state theory

(1) where is positive for dissolution and negative for precipitation, is the rate constant, is the specific reactive surface area, is termed the mineral saturation ratio, expressed as

(2) where is the equilibrium constant for mineral , is the activity coefficient, is the concentration of the primary species and is the stoichiometric coefficient.

The rate constant is typically reported at a reference temperature (commonly 25C). Using an Arrhenius relation, the temperature dependence of is given as

(3) where is the rate constant at reference temperature , is the activation energy, is the gas constant.

The exponents and in the reaction rate equation are specific to each mineral reaction, and should be measured experimentally. For simplicity, they are set to unity in this module.

Input Parameters

  • variableThe name of the variable that this object applies to

    C++ Type:AuxVariableName

    Options:

    Description:The name of the variable that this object applies to

  • sto_vThe stoichiometric coefficients of reactant species

    C++ Type:std::vector

    Options:

    Description:The stoichiometric coefficients of reactant species

Required Parameters

  • sys_temp298.15System temperature, K

    Default:298.15

    C++ Type:std::vector

    Options:

    Description:System temperature, K

  • e_act29100Activation energy, J/mol

    Default:29100

    C++ Type:double

    Options:

    Description:Activation energy, J/mol

  • ref_temp298.15Reference temperature, K

    Default:298.15

    C++ Type:double

    Options:

    Description:Reference temperature, K

  • gas_const8.31434Gas constant, in J/mol K

    Default:8.31434

    C++ Type:double

    Options:

    Description:Gas constant, in J/mol K

  • log_kThe equilibrium constant of the dissolution reaction

    C++ Type:std::vector

    Options:

    Description:The equilibrium constant of the dissolution reaction

  • ref_kconst6.45654e-08Kinetic rate constant in mol/m^2 s

    Default:6.45654e-08

    C++ Type:double

    Options:

    Description:Kinetic rate constant in mol/m^2 s

  • r_area0.1Specific reactive surface area in m^2/L solution

    Default:0.1

    C++ Type:double

    Options:

    Description:Specific reactive surface area in m^2/L solution

  • vThe list of reactant species

    C++ Type:std::vector

    Options:

    Description:The list of reactant species

  • execute_onLINEAR TIMESTEP_ENDThe list of flag(s) indicating when this object should be executed, the available options include NONE, INITIAL, LINEAR, NONLINEAR, TIMESTEP_END, TIMESTEP_BEGIN, FINAL, CUSTOM, PRE_DISPLACE.

    Default:LINEAR TIMESTEP_END

    C++ Type:ExecFlagEnum

    Options:NONE INITIAL LINEAR NONLINEAR TIMESTEP_END TIMESTEP_BEGIN FINAL CUSTOM PRE_DISPLACE

    Description:The list of flag(s) indicating when this object should be executed, the available options include NONE, INITIAL, LINEAR, NONLINEAR, TIMESTEP_END, TIMESTEP_BEGIN, FINAL, CUSTOM, PRE_DISPLACE.

  • boundaryThe list of boundary IDs from the mesh where this boundary condition applies

    C++ Type:std::vector

    Options:

    Description:The list of boundary IDs from the mesh where this boundary condition applies

  • blockThe list of block ids (SubdomainID) that this object will be applied

    C++ Type:std::vector

    Options:

    Description:The list of block ids (SubdomainID) that this object will be applied

Optional Parameters

  • control_tagsAdds user-defined labels for accessing object parameters via control logic.

    C++ Type:std::vector

    Options:

    Description:Adds user-defined labels for accessing object parameters via control logic.

  • enableTrueSet the enabled status of the MooseObject.

    Default:True

    C++ Type:bool

    Options:

    Description:Set the enabled status of the MooseObject.

  • seed0The seed for the master random number generator

    Default:0

    C++ Type:unsigned int

    Options:

    Description:The seed for the master random number generator

  • use_displaced_meshFalseWhether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

    Default:False

    C++ Type:bool

    Options:

    Description:Whether or not this object should use the displaced mesh for computation. Note that in the case this is true but no displacements are provided in the Mesh block the undisplaced mesh will still be used.

Advanced Parameters

Input Files

Child Objects