KineticDisPreRateAux

Kinetic rate of secondary kinetic species

Calculates the kinetic reaction rate based on transition state theory

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

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

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

  • sto_vThe stoichiometric coefficients of reactant species

    C++ Type:std::vector<double>

    Controllable:No

    Description:The stoichiometric coefficients of reactant species

  • variableThe name of the variable that this object applies to

    C++ Type:AuxVariableName

    Controllable:No

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

Required Parameters

  • blockThe list of blocks (ids or names) that this object will be applied

    C++ Type:std::vector<SubdomainName>

    Controllable:No

    Description:The list of blocks (ids or names) that this object will be applied

  • boundaryThe list of boundaries (ids or names) from the mesh where this object applies

    C++ Type:std::vector<BoundaryName>

    Controllable:No

    Description:The list of boundaries (ids or names) from the mesh where this object applies

  • check_boundary_restrictedTrueWhether to check for multiple element sides on the boundary in the case of a boundary restricted, element aux variable. Setting this to false will allow contribution to a single element's elemental value(s) from multiple boundary sides on the same element (example: when the restricted boundary exists on two or more sides of an element, such as at a corner of a mesh

    Default:True

    C++ Type:bool

    Controllable:No

    Description:Whether to check for multiple element sides on the boundary in the case of a boundary restricted, element aux variable. Setting this to false will allow contribution to a single element's elemental value(s) from multiple boundary sides on the same element (example: when the restricted boundary exists on two or more sides of an element, such as at a corner of a mesh

  • e_act29100Activation energy, J/mol

    Default:29100

    C++ Type:double

    Controllable:No

    Description:Activation energy, J/mol

  • execute_onLINEAR TIMESTEP_ENDThe list of flag(s) indicating when this object should be executed, the available options include FORWARD, ADJOINT, HOMOGENEOUS_FORWARD, ADJOINT_TIMESTEP_BEGIN, ADJOINT_TIMESTEP_END, NONE, INITIAL, LINEAR, NONLINEAR, POSTCHECK, TIMESTEP_END, TIMESTEP_BEGIN, MULTIAPP_FIXED_POINT_END, MULTIAPP_FIXED_POINT_BEGIN, FINAL, CUSTOM, PRE_DISPLACE.

    Default:LINEAR TIMESTEP_END

    C++ Type:ExecFlagEnum

    Options:FORWARD, ADJOINT, HOMOGENEOUS_FORWARD, ADJOINT_TIMESTEP_BEGIN, ADJOINT_TIMESTEP_END, NONE, INITIAL, LINEAR, NONLINEAR, POSTCHECK, TIMESTEP_END, TIMESTEP_BEGIN, MULTIAPP_FIXED_POINT_END, MULTIAPP_FIXED_POINT_BEGIN, FINAL, CUSTOM, PRE_DISPLACE

    Controllable:No

    Description:The list of flag(s) indicating when this object should be executed, the available options include FORWARD, ADJOINT, HOMOGENEOUS_FORWARD, ADJOINT_TIMESTEP_BEGIN, ADJOINT_TIMESTEP_END, NONE, INITIAL, LINEAR, NONLINEAR, POSTCHECK, TIMESTEP_END, TIMESTEP_BEGIN, MULTIAPP_FIXED_POINT_END, MULTIAPP_FIXED_POINT_BEGIN, FINAL, CUSTOM, PRE_DISPLACE.

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

    Default:8.31434

    C++ Type:double

    Controllable:No

    Description:Gas constant, in J/mol K

  • log_kThe equilibrium constant of the dissolution reaction

    C++ Type:std::vector<VariableName>

    Controllable:No

    Description:The equilibrium constant of the dissolution reaction

  • prop_getter_suffixAn optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.

    C++ Type:MaterialPropertyName

    Controllable:No

    Description:An optional suffix parameter that can be appended to any attempt to retrieve/get material properties. The suffix will be prepended with a '_' character.

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

    Default:0.1

    C++ Type:double

    Controllable:No

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

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

    Default:6.45654e-08

    C++ Type:double

    Controllable:No

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

  • ref_temp298.15Reference temperature, K

    Default:298.15

    C++ Type:double

    Controllable:No

    Description:Reference temperature, K

  • sys_temp298.15System temperature, K

    Default:298.15

    C++ Type:std::vector<VariableName>

    Controllable:No

    Description:System temperature, K

  • use_interpolated_stateFalseFor the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.

    Default:False

    C++ Type:bool

    Controllable:No

    Description:For the old and older state use projected material properties interpolated at the quadrature points. To set up projection use the ProjectedStatefulMaterialStorageAction.

  • vThe list of reactant species

    C++ Type:std::vector<VariableName>

    Controllable:No

    Description:The list of reactant species

Optional Parameters

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

    C++ Type:std::vector<std::string>

    Controllable:No

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

  • enableTrueSet the enabled status of the MooseObject.

    Default:True

    C++ Type:bool

    Controllable:Yes

    Description:Set the enabled status of the MooseObject.

  • seed0The seed for the master random number generator

    Default:0

    C++ Type:unsigned int

    Controllable:No

    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

    Controllable:No

    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