MollifiedLangmuirMaterial

construction:Undocumented Class

The MollifiedLangmuirMaterial has not been documented. The content listed below should be used as a starting point for documenting the class, which includes the typical automatic documentation associated with a MooseObject; however, what is contained is ultimately determined by what is necessary to make the documentation clear for users.

Material type that holds info regarding MollifiedLangmuir desorption from matrix to porespace and viceversa

Overview

Example Input File Syntax

Input Parameters

conc_varThe concentration of gas variable
C++ Type:std::vector<VariableName>
Controllable:No
Description:The concentration of gas variable
langmuir_densityThis is (Langmuir volume)*(density of gas at standard temp and pressure). Langmuir volume is measured in (gas volume)/(matrix volume). (Methane density(101kPa, 20degC) = 0.655kg/m^3. Methane density(101kPa, 0degC) = 0.715kg/m^3.) Units [kg/m^3]
C++ Type:double
Controllable:No
Description:This is (Langmuir volume)*(density of gas at standard temp and pressure). Langmuir volume is measured in (gas volume)/(matrix volume). (Methane density(101kPa, 20degC) = 0.655kg/m^3. Methane density(101kPa, 0degC) = 0.715kg/m^3.) Units [kg/m^3]
langmuir_pressureLangmuir pressure. Units Pa
C++ Type:double
Controllable:No
Description:Langmuir pressure. Units Pa
one_over_adsorption_time_constTime constant for Langmuir adsorption (gas moving from porespace to matrix). Units [s].
C++ Type:std::vector<VariableName>
Controllable:No
Description:Time constant for Langmuir adsorption (gas moving from porespace to matrix). Units [s].
one_over_desorption_time_constTime constant for Langmuir desorption (gas moving from matrix to porespace). Units [s]
C++ Type:std::vector<VariableName>
Controllable:No
Description:Time constant for Langmuir desorption (gas moving from matrix to porespace). Units [s]
pressure_varThe gas porepressure variable
C++ Type:std::vector<VariableName>
Controllable:No
Description:The gas porepressure variable

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
computeTrueWhen false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.
Default:True
C++ Type:bool
Controllable:No
Description:When false, MOOSE will not call compute methods on this material. The user must call computeProperties() after retrieving the MaterialBase via MaterialBasePropertyInterface::getMaterialBase(). Non-computed MaterialBases are not sorted for dependencies.
constant_onNONEWhen ELEMENT, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps.When SUBDOMAIN, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped
Default:NONE
C++ Type:MooseEnum
Options:NONE, ELEMENT, SUBDOMAIN
Controllable:No
Description:When ELEMENT, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps.When SUBDOMAIN, MOOSE will only call computeQpProperties() for the 0th quadrature point, and then copy that value to the other qps. Evaluations on element qps will be skipped
declare_suffixAn optional suffix parameter that can be appended to any declared 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 declared properties. The suffix will be prepended with a '_' character.
mollifier0.1The reciprocal of time constants will be one_over_time_const*tanh( |conc_var - equilib_conc|/(mollifier*langmuir_density)). So for mollifier very small you will get a stepchange between desorption and adsorption, but for mollifier bigger you will be a gradual change
Default:0.1
C++ Type:double
Controllable:No
Description:The reciprocal of time constants will be one_over_time_const*tanh( |conc_var - equilib_conc|/(mollifier*langmuir_density)). So for mollifier very small you will get a stepchange between desorption and adsorption, but for mollifier bigger you will be a gradual change
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.
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.

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.
implicitTrueDetermines whether this object is calculated using an implicit or explicit form
Default:True
C++ Type:bool
Controllable:No
Description:Determines whether this object is calculated using an implicit or explicit form
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

output_propertiesList of material properties, from this material, to output (outputs must also be defined to an output type)
C++ Type:std::vector<std::string>
Controllable:No
Description:List of material properties, from this material, to output (outputs must also be defined to an output type)
outputsnone Vector of output names where you would like to restrict the output of variables(s) associated with this object
Default:none
C++ Type:std::vector<OutputName>
Controllable:No
Description:Vector of output names where you would like to restrict the output of variables(s) associated with this object

Outputs Parameters

Input Files

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_de2.i)
(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_ad.i)
(modules/chemical_reactions/test/tests/desorption/langmuir_jac2.i)
(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_desorption.i)
(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_ad2.i)
(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_de.i)

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_de2.i)

# testing desorption jacobian, with large mollification parameter
[Mesh]
  type = GeneratedMesh
  dim = 1
  nx = 1
  xmin = -1
  xmax = 1
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
  [../]
[]

[ICs]
  [./p_ic]
    type = RandomIC
    variable = pressure
    min = 2
    max = 3
  [../]
  [./conc_ic]
    type = RandomIC
    variable = conc
    min = -1
    max = 1
  [../]
[]


[Kernels]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    variable = conc
    pressure_var = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    variable = pressure
    conc_var = conc
  [../]
[]

[Materials]
  [./mollified_langmuir_params]
    type = MollifiedLangmuirMaterial
    block = 0
    one_over_desorption_time_const = 0.813
    one_over_adsorption_time_const = 0
    langmuir_density = 0.34
    langmuir_pressure = 1.5
    conc_var = conc
    pressure_var = pressure
    mollifier = 10.0
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    #petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
[]

[Outputs]
  execute_on = 'timestep_end'
  file_base = langmuir_jac1
[]

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_ad.i)

# testing adsorption jacobian
[Mesh]
  type = GeneratedMesh
  dim = 1
  nx = 1
  xmin = -1
  xmax = 1
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
  [../]
[]

[ICs]
  [./p_ic]
    type = RandomIC
    variable = pressure
    min = 0
    max = 1
  [../]
  [./conc_ic]
    type = RandomIC
    variable = conc
    min = -1
    max = 1
  [../]
[]


[Kernels]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    variable = conc
    pressure_var = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    variable = pressure
    conc_var = conc
  [../]
[]

[Materials]
  [./mollified_langmuir_params]
    type = MollifiedLangmuirMaterial
    block = 0
    one_over_desorption_time_const = 0
    one_over_adsorption_time_const = 0.813
    langmuir_density = 6.34
    langmuir_pressure = 1.5
    conc_var = conc
    pressure_var = pressure
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    #petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
[]

[Outputs]
  execute_on = 'timestep_end'
  file_base = langmuir_jac1
[]

(modules/chemical_reactions/test/tests/desorption/langmuir_jac2.i)

# testing whether when we have a centre block containing 'conc' which is a CONSTANT MONOMIAL, we get the correct Jacobian
[Mesh]
  type = FileMesh
  file = three_eles.e
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
    family = MONOMIAL
    order = CONSTANT
    block = centre_block
  [../]
[]

[ICs]
  [./p_ic]
    type = RandomIC
    variable = pressure
    min = -1
    max = 1
  [../]
  [./conc_ic]
    type = RandomIC
    variable = conc
    min = -1
    max = 1
    block = centre_block
  [../]
[]


[Kernels]
  [./p_dot] # this is just so a kernel is defined everywhere
    type = TimeDerivative
    variable = pressure
  [../]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    block = centre_block
    variable = conc
    pressure_var = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    block = centre_block
    variable = pressure
    conc_var = conc
  [../]
[]

[Materials]
  [./nothing] # when any block contains a material, all blocks need to
    type = GenericConstantMaterial
    block = 'left_block centre_block right_block'
    prop_names = ''
    prop_values = ''
  [../]
  [./langmuir_params]
    type = MollifiedLangmuirMaterial
    block = centre_block
    one_over_desorption_time_const = 0.813E-10
    one_over_adsorption_time_const = 0.813E-10
    langmuir_density = 2.34
    langmuir_pressure = 1.5
    pressure_var = pressure
    conc_var = conc
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    #petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
[]

[Outputs]
  execute_on = 'timestep_end'
  file_base = langmuir_jac2
[]

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_desorption.i)

# testing the entire desorption DEs with mollification
[Mesh]
  type = GeneratedMesh
  dim = 1
  nx = 1
  xmin = 0
  xmax = 1
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
    family = MONOMIAL
    order = CONSTANT
  [../]
[]

[ICs]
  [./p_ic]
    type = ConstantIC
    variable = pressure
    value = 1.0
  [../]
  [./conc_ic]
    type = ConstantIC
    variable = conc
    value = 1.0
  [../]
[]


[Kernels]
  [./c_dot]
    type = TimeDerivative
    variable = conc
  [../]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    variable = conc
    pressure_var = pressure
  [../]
  [./rho_dot]
    type = TimeDerivative
    variable = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    variable = pressure
    conc_var = conc
  [../]
[]

[Postprocessors]
  [./mass_rho]
    type = ElementIntegralVariablePostprocessor
    block = 0
    variable = pressure
    execute_on = 'initial timestep_end'
  [../]
  [./mass_conc]
    type = ElementIntegralVariablePostprocessor
    block = 0
    variable = conc
    execute_on = 'initial timestep_end'
  [../]
  [./mass_tot]
    type = FunctionValuePostprocessor
    function = mass_fcn
    execute_on = 'initial timestep_end'
  [../]
  [./p0]
    type = PointValue
    variable = pressure
    point = '0 0 0'
    execute_on = 'initial timestep_end'
  [../]
  [./c0]
    type = PointValue
    variable = conc
    point = '0 0 0'
    execute_on = 'initial timestep_end'
  [../]
[]

[Functions]
  [./mass_fcn]
    type = ParsedFunction
    expression = a+b
    symbol_names = 'a b'
    symbol_values = 'mass_rho mass_conc'
  [../]
[]

[Materials]
  [./lang_stuff]
    type = MollifiedLangmuirMaterial
    block = 0
    one_over_desorption_time_const = 0.90909091
    one_over_adsorption_time_const = 0.90909091
    langmuir_density = 0.88
    langmuir_pressure = 1.23
    pressure_var = pressure
    conc_var = conc
    mollifier = 1E-4
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    #petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
  dt = 0.01
  end_time = 2
[]
[Outputs]
  file_base = mollified_langmuir_desorption
  time_step_interval = 10
  csv = 10
[] # Outputs

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_ad2.i)

# testing adsorption jacobian with large mollification parameter
[Mesh]
  type = GeneratedMesh
  dim = 1
  nx = 1
  xmin = -1
  xmax = 1
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
  [../]
[]

[ICs]
  [./p_ic]
    type = RandomIC
    variable = pressure
    min = 0
    max = 1
  [../]
  [./conc_ic]
    type = RandomIC
    variable = conc
    min = -1
    max = 1
  [../]
[]


[Kernels]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    variable = conc
    pressure_var = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    variable = pressure
    conc_var = conc
  [../]
[]

[Materials]
  [./mollified_langmuir_params]
    type = MollifiedLangmuirMaterial
    block = 0
    one_over_desorption_time_const = 0
    one_over_adsorption_time_const = 0.813
    langmuir_density = 6.34
    langmuir_pressure = 1.5
    conc_var = conc
    pressure_var = pressure
    mollifier = 1E2
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    #petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
[]

[Outputs]
  execute_on = 'timestep_end'
  file_base = langmuir_jac1
[]

(modules/chemical_reactions/test/tests/desorption/mollified_langmuir_jac_de.i)

# testing desorption jacobian
[Mesh]
  type = GeneratedMesh
  dim = 1
  nx = 1
  xmin = -1
  xmax = 1
[]

[Variables]
  [./pressure]
  [../]
  [./conc]
  [../]
[]

[ICs]
  [./p_ic]
    type = RandomIC
    variable = pressure
    min = 2
    max = 3
  [../]
  [./conc_ic]
    type = RandomIC
    variable = conc
    min = -1
    max = 1
  [../]
[]


[Kernels]
  [./flow_from_matrix]
    type = DesorptionFromMatrix
    variable = conc
    pressure_var = pressure
  [../]
  [./flux_to_porespace]
    type = DesorptionToPorespace
    variable = pressure
    conc_var = conc
  [../]
[]

[Materials]
  [./mollified_langmuir_params]
    type = MollifiedLangmuirMaterial
    block = 0
    one_over_desorption_time_const = 0.813
    one_over_adsorption_time_const = 0
    langmuir_density = 0.34
    langmuir_pressure = 1.5
    conc_var = conc
    pressure_var = pressure
  [../]
[]


[Preconditioning]
  [./andy]
    type = SMP
    full = true
    petsc_options = '-snes_test_display'
    petsc_options_iname = '-ksp_type -pc_type -snes_atol -snes_rtol -snes_max_it -snes_type'
    petsc_options_value = 'bcgs bjacobi 1E-15 1E-10 10000 test'
  [../]
[]

[Executioner]
  type = Transient
  solve_type = Newton
[]

[Outputs]
  execute_on = 'timestep_end'
  file_base = langmuir_jac1
[]

Overview
Example Input File Syntax
Input Parameters
Input Files