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:

[legend]

Public Member Functions
	PorousFlowAqueousPreDisMineral (const InputParameters &parameters)

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 24 of file PorousFlowAqueousPreDisMineral.h.

Constructor & Destructor Documentation

◆ PorousFlowAqueousPreDisMineral()

PorousFlowAqueousPreDisMineral::PorousFlowAqueousPreDisMineral ( const InputParameters & parameters )

Definition at line 29 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)
       _initial_conc[r] = (_nodal_material ? &coupledDofValues("initial_concentrations", r)
                                           : &coupledValue("initial_concentrations", r));
 }

Member Function Documentation

◆ computeQpProperties()

void PorousFlowAqueousPreDisMineral::computeQpProperties ( )

overrideprotected

Definition at line 84 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 75 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];
 }