OpenFCST: The open-source Fuel Cell Simulation Toolbox
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This class deals with Ficks Transport Equation. More...
#include <new_ficks_transport_equation.h>
Public Member Functions | |
Constructors, destructor, and initalization | |
NewFicksTransportEquation (FuelCell::SystemManagement &system_management, FuelCellShop::Material::PureGas *solute, FuelCellShop::Material::PureGas *solvent) | |
Constructor. More... | |
NewFicksTransportEquation (FuelCell::SystemManagement &system_management, std::string &name_section) | |
Constructor. More... | |
virtual | ~NewFicksTransportEquation () |
Destructor. More... | |
virtual void | declare_parameters (ParameterHandler ¶m) |
Declare parameters. More... | |
virtual void | initialize (ParameterHandler ¶m) |
Initialize parameters. More... | |
void | set_solute_and_solvent (FuelCellShop::Material::PureGas *solute, FuelCellShop::Material::PureGas *solvent, ParameterHandler ¶m) |
Method to set solute and solve if other constructor (not passing solute and solvent in the constructor) is being used. More... | |
Local CG FEM based assemblers | |
virtual void | assemble_cell_matrix (FuelCell::ApplicationCore::MatrixVector &cell_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local cell matrix. More... | |
virtual void | assemble_cell_residual (FuelCell::ApplicationCore::FEVector &cell_rhs, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local cell residual. More... | |
virtual void | assemble_bdry_matrix (FuelCell::ApplicationCore::MatrixVector &bdry_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local boundary matrix. More... | |
virtual void | assemble_bdry_residual (FuelCell::ApplicationCore::FEVector &bdry_rhs, const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local boundary residual. More... | |
Accessors and info | |
virtual void | print_equation_info () const |
The function printing out the equations info. More... | |
void | class_test () |
Member function used to test the functionality of the class. More... | |
Public Member Functions inherited from FuelCellShop::Equation::EquationBase< dim > | |
const couplings_map & | get_internal_cell_couplings () const |
This function returns internal_cell_couplings of a derived equation class. More... | |
const couplings_map & | get_internal_flux_couplings () const |
This function returns internal_flux_couplings (DG FEM only) of a derived equation class. More... | |
const component_materialID_value_map & | get_component_materialID_value () const |
This function returns component_materialID_value of a derived equation class. More... | |
const component_boundaryID_value_map & | get_component_boundaryID_value () const |
This function returns component_boundaryID_value of a derived equation class. More... | |
const std::vector< BoundaryType > & | get_boundary_types () const |
This function returns boundary_types of a derived equation class. More... | |
const std::vector< std::vector < BoundaryType > > & | get_multi_boundary_types () const |
This function returns multi_boundary_types of a derived equation class. More... | |
const std::vector< OutputType > & | get_output_types () const |
This function returns output_types of a derived equation class. More... | |
const std::vector< std::vector < OutputType > > & | get_multi_output_types () const |
This function returns multi_output_types of a derived equation class. More... | |
const std::string & | get_equation_name () const |
This function returns equation_name of a derived equation class. More... | |
const std::vector< unsigned int > & | get_matrix_block_indices () const |
This function returns matrix_block_indices of a derived equation class. More... | |
const std::vector< unsigned int > & | get_residual_indices () const |
This function returns residual_indices of a derived equation class. More... | |
Protected Member Functions | |
Local CG FEM based assemblers - make_ functions | |
virtual void | make_assemblers_generic_constant_data () |
This function computes Local CG FEM based assemblers - constant data (generic). More... | |
virtual void | make_assemblers_cell_constant_data (const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info) |
This function computes Local CG FEM based assemblers - constant data (cell) and allocates the memory for shape functions , shape function gradients , and JxW_cell in Local CG FEM based assemblers - variable data (cell) . More... | |
virtual void | make_assemblers_bdry_constant_data (const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info) |
This function computes Local CG FEM based assemblers - constant data (boundary) and allocates the memory for shape functions , normal_vectors, and JxW_bdry in Local CG FEM based assemblers - variable data (boundary) . More... | |
virtual void | make_assemblers_cell_variable_data (const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
This function computes Local CG FEM based assemblers - variable data (cell) . More... | |
virtual void | make_assemblers_bdry_variable_data (const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
This function computes Local CG FEM based assemblers - variable data (boundary) . More... | |
Other make_ functions | |
virtual void | make_internal_cell_couplings () |
This function fills out internal_cell_couplings . More... | |
virtual void | make_boundary_types () |
This function fills out boundary_types . More... | |
Protected Member Functions inherited from FuelCellShop::Equation::EquationBase< dim > | |
EquationBase (FuelCell::SystemManagement &sys_management, boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData > data=boost::shared_ptr< FuelCell::ApplicationCore::ApplicationData >()) | |
Constructor. More... | |
virtual | ~EquationBase () |
Destructor. More... | |
virtual void | declare_parameters (ParameterHandler ¶m) const |
Declare parameters. More... | |
virtual void | set_parameters (const std::vector< std::string > &name_dvar, const std::vector< double > &value_dvar, ParameterHandler ¶m) |
Set parameters using the parameter file, in order to run parametric/optimization studies. More... | |
void | select_cell_assemblers (const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
This routine is used to select the make_assembly routines that need to be called inside assemble_cell_matrix to compute. More... | |
virtual void | make_internal_flux_couplings () |
This function fills out internal_flux_couplings (DG FEM only) of a derived equation class. More... | |
virtual void | make_component_materialID_value () |
This function fills out component_materialID_value of a derived equation class. More... | |
virtual void | make_component_boundaryID_value () |
This function fills out component_boundaryID_value of a derived equation class. More... | |
virtual void | make_multi_boundary_types () |
This function fills out multi_boundary_types of a derived equation class. More... | |
virtual void | make_output_types () |
This function fills out output_types of a derived equation class. More... | |
virtual void | make_multi_output_types () |
This function fills out multi_output_types of a derived equation class. More... | |
virtual void | make_matrix_block_indices () |
This function is only needed to provide the last argument to dealII_to_appframe. More... | |
virtual void | make_residual_indices () |
This function is only needed to provide the last argument to dealII_to_appframe. More... | |
virtual void | assemble_cell_Jacobian_matrix (FuelCell::ApplicationCore::MatrixVector &cell_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble the local Jacobian Matrix for Non-Linear problems. More... | |
virtual void | assemble_bdry_Jacobian_matrix (FuelCell::ApplicationCore::MatrixVector &bdry_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local Jacobian boundary matrix for Non-Linear problems. More... | |
virtual void | assemble_cell_linear_matrix (FuelCell::ApplicationCore::MatrixVector &cell_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble the local cell matrix for Linear problems. More... | |
virtual void | assemble_cell_residual_rhs (FuelCell::ApplicationCore::FEVector &cell_residual, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local cell RHS for nonlinear problems. More... | |
virtual void | assemble_cell_linear_rhs (FuelCell::ApplicationCore::FEVector &cell_residual, const typename FuelCell::ApplicationCore::DoFApplication< dim >::CellInfo &cell_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local cell RHS for Linear problems. More... | |
virtual void | assemble_bdry_linear_matrix (FuelCell::ApplicationCore::MatrixVector &bdry_matrices, const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local boundary matrix for linear problems. More... | |
virtual void | assemble_bdry_linear_rhs (FuelCell::ApplicationCore::FEVector &bdry_residual, const typename FuelCell::ApplicationCore::DoFApplication< dim >::FaceInfo &bdry_info, FuelCellShop::Layer::BaseLayer< dim > *const layer) |
Assemble local boundary RHS for linear problems. More... | |
void | standard_to_block_wise (FullMatrix< double > &target) const |
This function changes the order of dealii::FullMatrix<double> target from standard to block-wise. More... | |
void | standard_to_block_wise (Vector< double > &target) const |
This function changes the order of dealii::Vector<double> target from standard to block-wise. More... | |
void | dealII_to_appframe (FuelCell::ApplicationCore::MatrixVector &dst, const FullMatrix< double > &src, const std::vector< unsigned int > &matrix_block_indices) const |
This function converts the standard ordered structure dealii::FullMatrix<double> src into the block-wise ordered structure FuelCell::ApplicationCore::MatrixVector dst . More... | |
void | dealII_to_appframe (FuelCell::ApplicationCore::FEVector &dst, const Vector< double > &src, const std::vector< unsigned int > &residual_indices) const |
This function converts the standard ordered structure dealii::Vector<double> src into the block-wise ordered structure FuelCell::ApplicationCore::FEVector dst . More... | |
bool | belongs_to_boundary (const unsigned int &tria_boundary_id, const unsigned int ¶m_boundary_id) const |
This function returns true if a boundary indicator of an external face on the triangulation coincides with a boundary indicator defined in the parameters file of a derived equation class. More... | |
void | print_caller_name (const std::string &caller_name) const |
This function is used to print out the name of another function that has been declared in the scope of this class, but not yet been implemented. More... | |
Protected Attributes | |
unsigned int | last_iter_cell |
Variable used to store the index in cell_info->global_data of the previous Newton solution The solution at the previous iteration is used to compute cell_matrix and cell_residual. More... | |
unsigned int | last_iter_bdry |
Variable used to store the index in bdry_info->global_data of the previous Newton solution The solution at the previous iteration is used to compute bdry_matrix and bdry_residual. More... | |
Boundary conditions | |
std::vector< unsigned int > | dirichlet_bdry_ids |
Container of boundary_id (s ) for Dirichlet boundaries. More... | |
std::map< unsigned int, double > | species_flux |
std::map< unsigned int , double > container for details regarding Neumann boundary conditions. More... | |
Generic Constant Data | |
FuelCellShop::Material::PureGas * | gas |
Gas for which the equation is setup. More... | |
FuelCellShop::Material::PureGas * | solvent |
Solvent gas for which the equation is setup. More... | |
VariableInfo | xi |
VariableInfo structure corresponding to base variable of this equation class, "solute.name()_molar_fraction" . More... | |
VariableInfo | t_rev |
VariableInfo structure corresponding to "temperature_of_REV" . More... | |
VariableInfo | s_liquid_water |
VariableInfo structure corresponding to "liquid_water_saturation" . More... | |
Local CG FEM based assemblers - variable data (cell) | |
std::vector< Tensor< 2, dim > > | conc_Deff_cell |
Tensor with concentration times effective molecular diffusivity [mol/ )], at all quadrature points in the cell. More... | |
std::vector< Tensor< 2, dim > > | dconc_Deff_dT_cell |
Derivative of concentration times effective molecular diffusivity w.r.t "temperature_of_REV" [mol/ )], at all quadrature points in the cell. More... | |
std::vector< Tensor< 2, dim > > | dconc_Deff_ds_cell |
Derivative of concentration times effective molecular diffusivity w.r.t "liquid_water_saturation" [mol/ )], at all quadrature points in the cell. More... | |
std::vector< std::vector < Tensor< 1, dim > > > | grad_phi_xi_cell |
shape function gradients. More... | |
std::vector< std::vector < double > > | phi_T_cell |
shape functions. More... | |
std::vector< std::vector < double > > | phi_s_cell |
shape functions. More... | |
Local CG FEM based assemblers - variable data (boundary) | |
std::vector< std::vector < double > > | phi_xi_bdry |
shape functions. More... | |
Protected Attributes inherited from FuelCellShop::Equation::EquationBase< dim > | |
unsigned int | dofs_per_cell |
Number of degrees of freedom per cell. More... | |
unsigned int | n_q_points_cell |
Number of quadrature points per cell. More... | |
unsigned int | n_q_points_bdry |
Number of quadrature points per boundary. More... | |
DoFHandler< dim > ::active_cell_iterator | cell |
Currently active DoFHandler<dim> active cell iterator. More... | |
DoFHandler< dim > ::active_face_iterator | bdry |
Currently active DoFHandler<dim> active boundary iterator. More... | |
std::vector< double > | JxW_cell |
Jacobian of mapping by Weight in the quadrature points of a cell. More... | |
std::vector< double > | JxW_bdry |
Jacobian of mapping by Weight in the quadrature points of a boundary. More... | |
std::vector< Point< dim > > | normal_vectors |
Normal vectors in the quadrature points of a boundary. More... | |
std::vector< std::vector < Point< dim > > > | tangential_vectors |
Tangential vectors in the quadrature points of a boundary. More... | |
FuelCell::SystemManagement * | system_management |
Pointer to the external YourApplication<dim>::system_management object. More... | |
couplings_map | internal_cell_couplings |
This object contains the info on how the equations and solution variables of a derived equation class are coupled. More... | |
couplings_map | internal_flux_couplings |
This object contains the info on how the "X" and "Y" of a derived equation class are coupled (DG FEM only). More... | |
component_materialID_value_map | component_materialID_value |
This object reflects the following structure (see FuelCell::InitialAndBoundaryData namespace docs): More... | |
component_boundaryID_value_map | component_boundaryID_value |
This object reflects the following structure (see FuelCell::InitialAndBoundaryData namespace docs): More... | |
std::vector< BoundaryType > | boundary_types |
The list of boundary types of a derived equation class. More... | |
std::vector< std::vector < BoundaryType > > | multi_boundary_types |
The list of multiple boundary types of a derived equation class. More... | |
std::vector< OutputType > | output_types |
The list of output types of a derived equation class. More... | |
std::vector< std::vector < OutputType > > | multi_output_types |
The list of multiple output types of a derived equation class. More... | |
std::string | equation_name |
The name of a derived equation class. More... | |
std::string | name_base_variable |
Const std::string member storing name of the base solution variable corresponding to the equation represented by this class. More... | |
std::vector< unsigned int > | matrix_block_indices |
The system matrix block indices (a derived equation class) drawn from the global structure (a derived equation class + other active equation classes included into the computation). More... | |
std::vector< unsigned int > | residual_indices |
The residual indices (a derived equation class) drawn from the global structure (a derived equation class + other active equation classes included into the computation). More... | |
std::vector< bool > | counter |
This vector contains the collection of internal "counters" used by the derived equation classes. More... | |
EquationFlags | assemble_flags |
This vector contains a collection of internal flags to tell derived equation classes what needs to be re-computed. More... | |
boost::shared_ptr < FuelCell::ApplicationCore::ApplicationData > | data |
Data object for the application data to be passed to the equation classes. More... | |
std::string | solution_vector_name |
The name of the solution vector in FEVectors. More... | |
std::string | residual_vector_name |
The name of the residual vector name in FEVectors. More... | |
Additional Inherited Members | |
Public Attributes inherited from FuelCellShop::Equation::EquationBase< dim > | |
bool | variable_initial_data |
true , if variable initial data is prescribed on a part of the domain. More... | |
bool | variable_boundary_data |
true , if variable Dirichlet boundary conditions are prescribed on a part of the boundary. More... | |
This class deals with Ficks Transport Equation.
This equation class solves for Fick's law of diffusion inside the porous layers. The solute gas and solvent gas are normally passed inside the constructor of this equation class.
It is solved with respect to:
(solutegas_molar_fraction
)This equation can be written as:
cm^2/s
], which can be function of
(temperature_of_REV
) and
(liquid_water_saturation
).mol/cm^3
].To be well-posed, these equations are equipped with the appropriate boundary conditions. All the boundary conditions can be described by boundary_id
(s
) and
boundary_type
. Besides, this some boundary types require additional information, which can also be provided by the parameter file. We consider following types of boundary conditions:
The boundary_ids
are specified in the parameter file under subsection "Dirichlet Boundary Indicators", as a list of comma-separated values.
e.g.
Neumann
boundary condition.No
gas
flux
or Symmetric
boundary conditions, as FEM formulation automatically implies a particular boundary is one of these cases, by default.set_gases
method.We solve the whole problem by linearizing the governing equation at each Newton iteration with subsequent CG FEM discretization in space. The class contains the necessary class members to add the necessary contributions to cell_matrix and cell_residual to the governing equations used to analyze gas transport via ficks diffusion model,
ReactionSourceTerms
class. Please read the documentation of ReactionSourceTerms class, for additional methods to be implemented in the application.adjust_internal_cell_couplings
member function of ReactionSourceTerms class, before using make_cell_couplings
of SystemManagement at the application level.TODO Old Boundary conditions including Dirichlet Boundary Indicators are supposed to be replaced with the new subsections, see TO BE REMOVED comments in .cc file.
FuelCellShop::Equation::NewFicksTransportEquation< dim >::NewFicksTransportEquation | ( | FuelCell::SystemManagement & | system_management, |
FuelCellShop::Material::PureGas * | solute, | ||
FuelCellShop::Material::PureGas * | solvent | ||
) |
Constructor.
FuelCellShop::Equation::NewFicksTransportEquation< dim >::NewFicksTransportEquation | ( | FuelCell::SystemManagement & | system_management, |
std::string & | name_section | ||
) |
Constructor.
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virtual |
Destructor.
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virtual |
Assemble local boundary matrix.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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virtual |
Assemble local boundary residual.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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virtual |
Assemble local cell matrix.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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virtual |
Assemble local cell residual.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
void FuelCellShop::Equation::NewFicksTransportEquation< dim >::class_test | ( | ) |
Member function used to test the functionality of the class.
It create an object of this class and test functionality.
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virtual |
Declare parameters.
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virtual |
Initialize parameters.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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protectedvirtual |
This function computes Local CG FEM based assemblers - constant data (boundary) and allocates the memory for shape
functions
, normal_vectors, and JxW_bdry in Local CG FEM based assemblers - variable data (boundary) .
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
|
protectedvirtual |
This function computes Local CG FEM based assemblers - variable data (boundary) .
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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protectedvirtual |
This function computes Local CG FEM based assemblers - constant data (cell) and allocates the memory for shape
functions
, shape
function
gradients
, and JxW_cell in Local CG FEM based assemblers - variable data (cell) .
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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protectedvirtual |
This function computes Local CG FEM based assemblers - variable data (cell) .
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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protectedvirtual |
This function computes Local CG FEM based assemblers - constant data (generic).
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
|
protectedvirtual |
This function fills out boundary_types
.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
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protectedvirtual |
This function fills out internal_cell_couplings
.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
|
virtual |
The function printing out the equations info.
Reimplemented from FuelCellShop::Equation::EquationBase< dim >.
|
inline |
Method to set solute and solve if other constructor (not passing solute and solvent in the constructor) is being used.
It will also setup name_equation and name_solution
References FuelCellShop::Equation::EquationBase< dim >::equation_name, FuelCellShop::Equation::NewFicksTransportEquation< dim >::gas, FuelCellShop::Equation::EquationBase< dim >::name_base_variable, FuelCellShop::Material::BaseMaterial::name_material(), and FuelCellShop::Equation::NewFicksTransportEquation< dim >::solvent.
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protected |
Tensor with concentration times effective molecular diffusivity [mol/
(cm-s
)], at all quadrature points in the cell.
|
protected |
Derivative of concentration times effective molecular diffusivity w.r.t "liquid_water_saturation"
[mol/
(cm-s
)], at all quadrature points in the cell.
|
protected |
Derivative of concentration times effective molecular diffusivity w.r.t "temperature_of_REV"
[mol/
(cm-s-K
)], at all quadrature points in the cell.
|
protected |
Container of boundary_id
(s
) for Dirichlet boundaries.
|
protected |
Gas for which the equation is setup.
Referenced by FuelCellShop::Equation::NewFicksTransportEquation< dim >::set_solute_and_solvent().
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protected |
shape function gradients.
grad_phi_xi_cell
[
q
]
[
k
] denotes -th shape function gradient computed in -th quadrature point of the cell.
|
protected |
Variable used to store the index in bdry_info->global_data of the previous Newton solution The solution at the previous iteration is used to compute bdry_matrix and bdry_residual.
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protected |
Variable used to store the index in cell_info->global_data of the previous Newton solution The solution at the previous iteration is used to compute cell_matrix and cell_residual.
|
protected |
shape functions.
phi_s_cell
[
q
]
[
k
] denotes -th shape function computed in -th quadrature point of the cell.
|
protected |
shape functions.
phi_T_cell
[
q
]
[
k
] denotes -th shape function computed in -th quadrature point of the cell.
|
protected |
shape functions.
phi_xi_bdry
[
q
]
[
k
] denotes -th shape function computed in -th quadrature point of the boundary.
|
protected |
VariableInfo structure corresponding to "liquid_water_saturation"
.
|
protected |
Solvent gas for which the equation is setup.
The diffusion coefficient that we would use is given by D_gas,solvent.
Referenced by FuelCellShop::Equation::NewFicksTransportEquation< dim >::set_solute_and_solvent().
|
protected |
std::map<
unsigned
int
, double
> container for details regarding Neumann boundary conditions.
Here, Key
(unsigned int) represents the boundary_id
and Value
(double) represents the constant species flux values [mol/(cm^2 sec)].
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protected |
VariableInfo structure corresponding to "temperature_of_REV"
.
|
protected |
VariableInfo structure corresponding to base variable of this equation class, "solute.name()_molar_fraction"
.