PorousFlowAqueousPreDisMineral Class Reference

Material designed to form a std::vector of mass fractions of mineral concentrations from reaction rates for an equilibrium precipitation-dissolution chemistry reaction system. More...

#include <PorousFlowAqueousPreDisMineral.h>

Inheritance diagram for PorousFlowAqueousPreDisMineral:

Public Types
typedef DerivativeMaterialPropertyNameInterface::SymbolName	SymbolName

Public Member Functions
	PorousFlowAqueousPreDisMineral (const InputParameters &parameters)
const GenericMaterialProperty< U, is_ad > &	getDefaultMaterialProperty (const std::string &name)
const GenericMaterialProperty< U, is_ad > &	getDefaultMaterialPropertyByName (const std::string &name)
void	validateDerivativeMaterialPropertyBase (const std::string &base)
const MaterialPropertyName	derivativePropertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
const MaterialPropertyName	derivativePropertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
const MaterialPropertyName	derivativePropertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
const MaterialPropertyName	derivativePropertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
GenericMaterialProperty< U, is_ad > &	declarePropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, unsigned int v2, unsigned int v3=libMesh::invalid_uint)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, unsigned int v1, unsigned int v2=libMesh::invalid_uint, unsigned int v3=libMesh::invalid_uint)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const std::vector< VariableName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const std::vector< SymbolName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, const SymbolName &c1, unsigned int v2, unsigned int v3=libMesh::invalid_uint)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivative (const std::string &base, unsigned int v1, unsigned int v2=libMesh::invalid_uint, unsigned int v3=libMesh::invalid_uint)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< VariableName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< SymbolName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< VariableName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const std::vector< SymbolName > &c)
const GenericMaterialProperty< U, is_ad > &	getMaterialPropertyDerivativeByName (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2="", const SymbolName &c3="")
void	validateCoupling (const MaterialPropertyName &base, const std::vector< VariableName > &c, bool validate_aux=true)
void	validateCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
void	validateCoupling (const MaterialPropertyName &base, const std::vector< VariableName > &c, bool validate_aux=true)
void	validateCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
void	validateNonlinearCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
void	validateNonlinearCoupling (const MaterialPropertyName &base, const VariableName &c1="", const VariableName &c2="", const VariableName &c3="")
const MaterialPropertyName	propertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
const MaterialPropertyName	propertyName (const MaterialPropertyName &base, const std::vector< SymbolName > &c) const
const MaterialPropertyName	propertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
const MaterialPropertyName	propertyNameFirst (const MaterialPropertyName &base, const SymbolName &c1) const
const MaterialPropertyName	propertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
const MaterialPropertyName	propertyNameSecond (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2) const
const MaterialPropertyName	propertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const
const MaterialPropertyName	propertyNameThird (const MaterialPropertyName &base, const SymbolName &c1, const SymbolName &c2, const SymbolName &c3) const

Static Public Member Functions
static InputParameters	validParams ()

Protected Member Functions
void	initQpStatefulProperties () override
void	computeQpProperties () override

Protected Attributes
const unsigned int	_num_reactions
	Number of equations in the aqueous geochemistry system. More...
const unsigned int	_aq_ph
	Aqueous phase number. More...
const MaterialProperty< std::vector< Real > > &	_saturation
	Saturation. More...
MaterialProperty< std::vector< Real > > &	_sec_conc
	Mineral concentrations at quadpoint or nodes. More...
const MaterialProperty< Real > &	_porosity_old
	Porosity. More...
const MaterialProperty< std::vector< Real > > &	_sec_conc_old
	Old values of the mineral species concentrations. More...
const MaterialProperty< std::vector< Real > > &	_reaction_rate
	Reaction rate of mineralisation. More...
const bool	_initial_conc_supplied
	Whether the initial values of the secondary species concentrations have been supplied by the user. More...
const unsigned	_num_initial_conc
	Number of secondary species concentrations supplied by the user. More...
std::vector< const VariableValue * >	_initial_conc
	Initial values of the secondary species concentrations. More...
const unsigned int	_num_phases
	Number of phases. More...
const unsigned int	_num_components
	Number of fluid components. More...
const unsigned int	_num_var
	Number of PorousFlow variables. More...

Detailed Description

Material designed to form a std::vector of mass fractions of mineral concentrations from reaction rates for an equilibrium precipitation-dissolution chemistry reaction system.

Definition at line 19 of file PorousFlowAqueousPreDisMineral.h.

Constructor & Destructor Documentation

PorousFlowAqueousPreDisMineral()

PorousFlowAqueousPreDisMineral::PorousFlowAqueousPreDisMineral

(

const InputParameters &

parameters

)

Definition at line 28 of file PorousFlowAqueousPreDisMineral.C.

  : PorousFlowMaterialVectorBase(parameters),
    _num_reactions(_dictator.numAqueousKinetic()),
    _aq_ph(_dictator.aqueousPhaseNumber()),
    _saturation(_nodal_material
                    ? getMaterialProperty<std::vector<Real>>("PorousFlow_saturation_nodal")
                    : getMaterialProperty<std::vector<Real>>("PorousFlow_saturation_qp")),
    _sec_conc(_nodal_material
                  ? declareProperty<std::vector<Real>>("PorousFlow_mineral_concentration_nodal")
                  : declareProperty<std::vector<Real>>("PorousFlow_mineral_concentration_qp")),

    _porosity_old(_nodal_material ? getMaterialPropertyOld<Real>("PorousFlow_porosity_nodal")
                                  : getMaterialPropertyOld<Real>("PorousFlow_porosity_qp")),
    _sec_conc_old(
        _nodal_material
            ? getMaterialPropertyOld<std::vector<Real>>("PorousFlow_mineral_concentration_nodal")
            : getMaterialPropertyOld<std::vector<Real>>("PorousFlow_mineral_concentration_qp")),
    _reaction_rate(
        _nodal_material
            ? getMaterialProperty<std::vector<Real>>("PorousFlow_mineral_reaction_rate_nodal")
            : getMaterialProperty<std::vector<Real>>("PorousFlow_mineral_reaction_rate_qp")),

    _initial_conc_supplied(isParamValid("initial_concentrations")),
    _num_initial_conc(_initial_conc_supplied ? coupledComponents("initial_concentrations")
                                             : _num_reactions)
{
  /* Not needed due to PorousFlow_mineral_reaction_rate already checking this condition
  if (_dictator.numPhases() < 1)
    mooseError("PorousFlowAqueousPreDisMineral: The number of fluid phases must not be zero");
  */

  if (_num_initial_conc != _dictator.numAqueousKinetic())
    mooseError("PorousFlowAqueousPreDisMineral: The number of initial concentrations is ",
               _num_initial_conc,
               " but the Dictator knows that the number of aqueous kinetic "
               "(precipitation-dissolution) reactions is ",
               _dictator.numAqueousKinetic());

  _initial_conc.resize(_num_initial_conc);
  if (_initial_conc_supplied)
    for (unsigned r = 0; r < _num_reactions; ++r)
    {
      // If initial_concentrations are elemental AuxVariables (or constants), we want to use
      // coupledGenericValue() rather than coupledGenericDofValue()
      const bool is_nodal = isCoupled("initial_concentrations")
                                ? getFieldVar("initial_concentrations", r)->isNodal()
                                : false;

      _initial_conc[r] =
          (_nodal_material && is_nodal ? &coupledDofValues("initial_concentrations", r)
                                       : &coupledValue("initial_concentrations", r));
    }
}

Member Function Documentation

computeQpProperties()

void PorousFlowAqueousPreDisMineral::computeQpProperties ( )

overrideprotected

Definition at line 92 of file PorousFlowAqueousPreDisMineral.C.

{
  _sec_conc[_qp].resize(_num_reactions);

  /*
   *
   * Note the use of the OLD value of porosity here.
   * This strategy, which breaks the cyclic dependency between porosity
   * and mineral concentration, is used in
   * Kernel: PorousFlowPreDis
   * Material: PorousFlowPorosity
   * Material: PorousFlowAqueousPreDisChemistry
   * Material: PorousFlowAqueousPreDisMineral
   *
   */
  for (unsigned r = 0; r < _num_reactions; ++r)
    _sec_conc[_qp][r] = _sec_conc_old[_qp][r] + _porosity_old[_qp] * _reaction_rate[_qp][r] *
                                                    _saturation[_qp][_aq_ph] * _dt;
}

initQpStatefulProperties()

void PorousFlowAqueousPreDisMineral::initQpStatefulProperties ( )

overrideprotected

Definition at line 83 of file PorousFlowAqueousPreDisMineral.C.

{
  _sec_conc[_qp].assign(_num_reactions, 0.0);
  if (_initial_conc_supplied)
    for (unsigned r = 0; r < _num_reactions; ++r)
      _sec_conc[_qp][r] = (*_initial_conc[r])[_qp];
}

validParams()

InputParameters PorousFlowAqueousPreDisMineral::validParams ( )

static

Definition at line 15 of file PorousFlowAqueousPreDisMineral.C.

{
  InputParameters params = PorousFlowMaterialVectorBase::validParams();
  params.addCoupledVar("initial_concentrations",
                       "Initial concentrations for the mineral species "
                       "(m^{3}(precipitate)/m^{3}(porous material)).  Default = 0");
  params.addPrivateParam<std::string>("pf_material_type", "mineral");
  params.addClassDescription("This Material forms a std::vector of mineral concentrations "
                             "(volume-of-mineral/volume-of-material) appropriate to the aqueous "
                             "precipitation-dissolution system provided.");
  return params;
}

Member Data Documentation

_aq_ph

const unsigned int PorousFlowAqueousPreDisMineral::_aq_ph

protected

Aqueous phase number.

Definition at line 34 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties().

_initial_conc

std::vector<const VariableValue *> PorousFlowAqueousPreDisMineral::_initial_conc

protected

Initial values of the secondary species concentrations.

Definition at line 59 of file PorousFlowAqueousPreDisMineral.h.

Referenced by initQpStatefulProperties(), and PorousFlowAqueousPreDisMineral().

_initial_conc_supplied

const bool PorousFlowAqueousPreDisMineral::_initial_conc_supplied

protected

Whether the initial values of the secondary species concentrations have been supplied by the user.

Definition at line 53 of file PorousFlowAqueousPreDisMineral.h.

Referenced by initQpStatefulProperties(), and PorousFlowAqueousPreDisMineral().

_num_components

const unsigned int PorousFlowMaterialVectorBase::_num_components

protectedinherited

Number of fluid components.

Definition at line 30 of file PorousFlowMaterialVectorBase.h.

Referenced by PorousFlowMassFractionAqueousEquilibriumChemistry::computeQpProperties(), PorousFlowAqueousPreDisChemistry::PorousFlowAqueousPreDisChemistry(), PorousFlowDiffusivityBaseTempl< is_ad >::PorousFlowDiffusivityBaseTempl(), and PorousFlowMassFractionTempl< is_ad >::PorousFlowMassFractionTempl().

_num_initial_conc

const unsigned PorousFlowAqueousPreDisMineral::_num_initial_conc

protected

Number of secondary species concentrations supplied by the user.

Definition at line 56 of file PorousFlowAqueousPreDisMineral.h.

Referenced by PorousFlowAqueousPreDisMineral().

_num_phases

const unsigned int PorousFlowMaterialVectorBase::_num_phases

protectedinherited

Number of phases.

Definition at line 27 of file PorousFlowMaterialVectorBase.h.

Referenced by PorousFlowDiffusivityBaseTempl< is_ad >::PorousFlowDiffusivityBaseTempl(), PorousFlowDiffusivityConstTempl< is_ad >::PorousFlowDiffusivityConstTempl(), PorousFlowJoinerTempl< is_ad >::PorousFlowJoinerTempl(), PorousFlowMassFractionTempl< is_ad >::PorousFlowMassFractionTempl(), PorousFlowThermalConductivityFromPorosityTempl< is_ad >::PorousFlowThermalConductivityFromPorosityTempl(), PorousFlowThermalConductivityIdealTempl< is_ad >::PorousFlowThermalConductivityIdealTempl(), and PorousFlowTotalGravitationalDensityFullySaturatedFromPorosity::PorousFlowTotalGravitationalDensityFullySaturatedFromPorosity().

_num_reactions

const unsigned int PorousFlowAqueousPreDisMineral::_num_reactions

protected

Number of equations in the aqueous geochemistry system.

Definition at line 31 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties(), initQpStatefulProperties(), and PorousFlowAqueousPreDisMineral().

_num_var

const unsigned int PorousFlowMaterialVectorBase::_num_var

protectedinherited

Number of PorousFlow variables.

Definition at line 33 of file PorousFlowMaterialVectorBase.h.

Referenced by PorousFlowVolumetricStrain::computeQpProperties(), PorousFlowAqueousPreDisChemistry::computeQpProperties(), PorousFlowMassFractionAqueousEquilibriumChemistry::computeQpProperties(), PorousFlowPorosityLinear::computeQpProperties(), PorousFlowPorosityHMBiotModulus::computeQpProperties(), PorousFlowTotalGravitationalDensityFullySaturatedFromPorosity::computeQpProperties(), PorousFlowPorosityExponentialBase::computeQpProperties(), PorousFlowAqueousPreDisChemistry::initQpStatefulProperties(), and PorousFlowPorosityLinear::initQpStatefulProperties().

_porosity_old

const MaterialProperty<Real>& PorousFlowAqueousPreDisMineral::_porosity_old

protected

Porosity.

Definition at line 43 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties().

_reaction_rate

const MaterialProperty<std::vector<Real> >& PorousFlowAqueousPreDisMineral::_reaction_rate

protected

Reaction rate of mineralisation.

Definition at line 49 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties().

_saturation

const MaterialProperty<std::vector<Real> >& PorousFlowAqueousPreDisMineral::_saturation

protected

Saturation.

Definition at line 37 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties().

_sec_conc

MaterialProperty<std::vector<Real> >& PorousFlowAqueousPreDisMineral::_sec_conc

protected

Mineral concentrations at quadpoint or nodes.

Definition at line 40 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties(), and initQpStatefulProperties().

_sec_conc_old

const MaterialProperty<std::vector<Real> >& PorousFlowAqueousPreDisMineral::_sec_conc_old

protected

Old values of the mineral species concentrations.

Definition at line 46 of file PorousFlowAqueousPreDisMineral.h.

Referenced by computeQpProperties().

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The documentation for this class was generated from the following files:

• porous_flow/include/materials/PorousFlowAqueousPreDisMineral.h
• porous_flow/src/materials/PorousFlowAqueousPreDisMineral.C