KineticDisPreRateAux

Kinetic rate of secondary kinetic species

Calculates the kinetic reaction rate based on transition state theory

$var element = document.getElementById("moose-equation-2708b24d-f223-41c8-87e4-deb9c52a93d5");katex.render("I_m = \\pm k_m a_m \\left|1 - \\Omega_m^{\\theta}\\right|^{\\eta},", element, {displayMode:true,throwOnError:false});$ where $var element = document.getElementById("moose-equation-48ea3b1e-d773-457c-801d-b714ad20f1be");katex.render("I_m", element, {displayMode:false,throwOnError:false});$ is positive for dissolution and negative for precipitation, $var element = document.getElementById("moose-equation-61352af3-8056-43a4-b7c1-d3abfcbad38c");katex.render("k_m", element, {displayMode:false,throwOnError:false});$ is the rate constant, $var element = document.getElementById("moose-equation-73bf3920-3895-4762-b364-72bfd631d2f7");katex.render("a_m", element, {displayMode:false,throwOnError:false});$ is the specific reactive surface area, $var element = document.getElementById("moose-equation-9dcf5159-b9ce-496d-b7fc-028266c39084");katex.render("\\Omega_m", element, {displayMode:false,throwOnError:false});$ is termed the mineral saturation ratio, expressed as

$var element = document.getElementById("moose-equation-4ce1f114-98d1-4f7d-8349-4fdeab5111ec");katex.render("\\Omega_m = \\frac{1}{K_m} \\prod_{j}(\\gamma_j C_j)^{\\nu_{jm}},", element, {displayMode:true,throwOnError:false});$ where $var element = document.getElementById("moose-equation-cd746ac9-6502-4a86-b820-ca21eb76ed34");katex.render("K_m", element, {displayMode:false,throwOnError:false});$ is the equilibrium constant for mineral $var element = document.getElementById("moose-equation-53523db9-223e-47c3-901b-4360298ad8f6");katex.render("m", element, {displayMode:false,throwOnError:false});$ , $var element = document.getElementById("moose-equation-312e2c34-de34-4ba2-b976-03c7544fd9d4");katex.render("\\gamma_j", element, {displayMode:false,throwOnError:false});$ is the activity coefficient, $var element = document.getElementById("moose-equation-161ce916-cbe4-4935-ad75-b7a6ce6a5d2f");katex.render("C_j", element, {displayMode:false,throwOnError:false});$ is the concentration of the $var element = document.getElementById("moose-equation-f3dbd6b6-365d-4371-a327-056056f2f548");katex.render("j^{\\mathrm{th}}", element, {displayMode:false,throwOnError:false});$ primary species and $var element = document.getElementById("moose-equation-2c9c1b4b-7348-40bb-82c0-c0f365d3274a");katex.render("\\nu_{jm}", element, {displayMode:false,throwOnError:false});$ is the stoichiometric coefficient.

The rate constant $var element = document.getElementById("moose-equation-716bfbac-2c73-4000-b112-12be09ec6b96");katex.render("k_m", element, {displayMode:false,throwOnError:false});$ is typically reported at a reference temperature (commonly 25 $var element = document.getElementById("moose-equation-90dc5662-222e-4d04-a114-925ef351f787");katex.render("^{\\circ}", element, {displayMode:false,throwOnError:false});$ C). Using an Arrhenius relation, the temperature dependence of $var element = document.getElementById("moose-equation-db27c819-98d5-4faf-a9c6-a23d0e46cd12");katex.render("k_m", element, {displayMode:false,throwOnError:false});$ is given as

$var element = document.getElementById("moose-equation-2e8be356-1799-48a0-a7b1-c58272518b3a");katex.render("k_m(T) = k_{m,0} \\exp\\left[\\frac{E_a}{R} \\left(\\frac{1}{T_0} - \\frac{1}{T}\\right)\\right],", element, {displayMode:true,throwOnError:false});$ where $var element = document.getElementById("moose-equation-cadae09b-d136-4e98-afd7-1dfc5f7b494a");katex.render("k_{m,0}", element, {displayMode:false,throwOnError:false});$ is the rate constant at reference temperature $var element = document.getElementById("moose-equation-58b66bcb-d717-4386-b4a3-db8a1c3a1e80");katex.render("T_0", element, {displayMode:false,throwOnError:false});$ , $var element = document.getElementById("moose-equation-2253568e-82d5-4779-a538-bd230f068b57");katex.render("E_a", element, {displayMode:false,throwOnError:false});$ is the activation energy, $var element = document.getElementById("moose-equation-05a0b96a-3a24-4001-9fd5-0af315e0b9f8");katex.render("R", element, {displayMode:false,throwOnError:false});$ is the gas constant.

The exponents $var element = document.getElementById("moose-equation-58319d94-4a79-4396-821d-11221a2d85da");katex.render("\\theta", element, {displayMode:false,throwOnError:false});$ and $var element = document.getElementById("moose-equation-85e831f5-e42f-4daf-94b9-36ba5a6974bb");katex.render("\\eta", element, {displayMode:false,throwOnError:false});$ 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>
Unit:(no unit assumed)
Controllable:No
Description:The stoichiometric coefficients of reactant species
variableThe name of the variable that this object applies to
C++ Type:AuxVariableName
Unit:(no unit assumed)
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
Unit:(no unit assumed)
Controllable:No
Description:Activation energy, J/mol
execute_onLINEAR TIMESTEP_ENDThe list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
Default:LINEAR TIMESTEP_END
C++ Type:ExecFlagEnum
Options:NONE, INITIAL, LINEAR, LINEAR_CONVERGENCE, NONLINEAR, NONLINEAR_CONVERGENCE, POSTCHECK, TIMESTEP_END, TIMESTEP_BEGIN, MULTIAPP_FIXED_POINT_END, MULTIAPP_FIXED_POINT_BEGIN, MULTIAPP_FIXED_POINT_CONVERGENCE, FINAL, CUSTOM, PRE_DISPLACE
Controllable:No
Description:The list of flag(s) indicating when this object should be executed. For a description of each flag, see https://mooseframework.inl.gov/source/interfaces/SetupInterface.html.
gas_const8.31434Gas constant, in J/mol K
Default:8.31434
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Gas constant, in J/mol K
log_kThe equilibrium constant of the dissolution reaction
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:The equilibrium constant of the dissolution reaction
r_area0.1Specific reactive surface area in m^2/L solution
Default:0.1
C++ Type:double
Unit:(no unit assumed)
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
Unit:(no unit assumed)
Controllable:No
Description:Kinetic rate constant in mol/m^2 s
ref_temp298.15Reference temperature, K
Default:298.15
C++ Type:double
Unit:(no unit assumed)
Controllable:No
Description:Reference temperature, K
sys_temp298.15System temperature, K
Default:298.15
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
Controllable:No
Description:System temperature, K
vThe list of reactant species
C++ Type:std::vector<VariableName>
Unit:(no unit assumed)
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

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
Unit:(no unit assumed)
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.
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.

Material Property Retrieval Parameters

Input Parameters