Kernel = sum (stoichiometry * density * porosity_old * saturation * reaction_rate) where the sum is over secondary chemical species in a precipitation-dissolution reaction system. More...

#include <PorousFlowPreDis.h>

Inheritance diagram for PorousFlowPreDis:

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Public Member Functions
	PorousFlowPreDis (const InputParameters &parameters)

Protected Member Functions
virtual Real	computeQpResidual () override

virtual Real	computeQpJacobian () override

virtual Real	computeQpOffDiagJacobian (unsigned int jvar) override

Real	computeQpJac (unsigned int pvar)
	Derivative of residual with respect to PorousFlow variable number pvar This is used by both computeQpJacobian and computeQpOffDiagJacobian. More...

Protected Attributes
const std::vector< Real >	_mineral_density
	Density of the mineral species. More...

const PorousFlowDictator &	_dictator
	PorousFlowDictator UserObject. More...

const unsigned int	_aq_ph
	Aqueous phase number. More...

const MaterialProperty< Real > &	_porosity_old
	Old value of porosity. More...

const MaterialProperty< std::vector< Real > > &	_saturation
	Saturation. More...

const MaterialProperty< std::vector< std::vector< Real > > > &	_dsaturation_dvar
	d(saturation)/d(PorousFlow var) More...

const MaterialProperty< std::vector< Real > > &	_reaction_rate
	Reaction rate of the yielding the secondary species. More...

const MaterialProperty< std::vector< std::vector< Real > > > &	_dreaction_rate_dvar
	d(reaction rate)/d(porflow variable) More...

const std::vector< Real >	_stoichiometry
	Stoichiometric coefficients. More...

Detailed Description

Kernel = sum (stoichiometry * density * porosity_old * saturation * reaction_rate) where the sum is over secondary chemical species in a precipitation-dissolution reaction system.

Definition at line 25 of file PorousFlowPreDis.h.

Constructor & Destructor Documentation

◆ PorousFlowPreDis()

PorousFlowPreDis::PorousFlowPreDis ( const InputParameters & parameters )

Definition at line 34 of file PorousFlowPreDis.C.

   : TimeKernel(parameters),
     _mineral_density(getParam<std::vector<Real>>("mineral_density")),
     _dictator(getUserObject<PorousFlowDictator>("PorousFlowDictator")),
     _aq_ph(_dictator.aqueousPhaseNumber()),
     _porosity_old(getMaterialPropertyOld<Real>("PorousFlow_porosity_nodal")),
     _saturation(getMaterialProperty<std::vector<Real>>("PorousFlow_saturation_nodal")),
     _dsaturation_dvar(
         getMaterialProperty<std::vector<std::vector<Real>>>("dPorousFlow_saturation_nodal_dvar")),
     _reaction_rate(
         getMaterialProperty<std::vector<Real>>("PorousFlow_mineral_reaction_rate_nodal")),
     _dreaction_rate_dvar(getMaterialProperty<std::vector<std::vector<Real>>>(
         "dPorousFlow_mineral_reaction_rate_nodal_dvar")),
     _stoichiometry(getParam<std::vector<Real>>("stoichiometry"))
 {
   /* Not needed due to PorousFlow_mineral_reaction_rate already checking this condition
   if (_dictator.numPhases() < 1)
     mooseError("PorousFlowPreDis: The number of fluid phases must not be zero");
   */
  
   if (_mineral_density.size() != _dictator.numAqueousKinetic())
     paramError("mineral_density",
                "The Dictator proclaims that the number of precipitation-dissolution secondary "
                "species in this simulation is ",
                _dictator.numAqueousKinetic(),
                " whereas you have provided ",
                _mineral_density.size(),
                ". The Dictator does not take such mistakes lightly");
  
   if (_stoichiometry.size() != _dictator.numAqueousKinetic())
     paramError("stoichiometry",
                "The Dictator proclaims that the number of precipitation-dissolution secondary "
                "species in this simulation is ",
                _dictator.numAqueousKinetic(),
                " whereas you have provided ",
                _stoichiometry.size(),
                ". The Dictator does not take such mistakes lightly");
 }

Member Function Documentation

◆ computeQpJac()

Real PorousFlowPreDis::computeQpJac ( unsigned int pvar )

protected

Derivative of residual with respect to PorousFlow variable number pvar This is used by both computeQpJacobian and computeQpOffDiagJacobian.

Parameters

pvar	take the derivative of the residual wrt this PorousFlow variable

Definition at line 112 of file PorousFlowPreDis.C.

 {
   if (_i != _j)
     return 0.0;
  
   Real res = 0.0;
   Real dres = 0.0;
   for (unsigned r = 0; r < _dictator.numAqueousKinetic(); ++r)
   {
     dres += _stoichiometry[r] * _mineral_density[r] * _dreaction_rate_dvar[_i][r][pvar];
     res += _stoichiometry[r] * _mineral_density[r] * _reaction_rate[_i][r];
   }
  
   return _test[_i][_qp] *
          (dres * _saturation[_i][_aq_ph] + res * _dsaturation_dvar[_i][_aq_ph][pvar]) *
          _porosity_old[_i];
 }

Referenced by computeQpJacobian(), and computeQpOffDiagJacobian().

◆ computeQpJacobian()

Real PorousFlowPreDis::computeQpJacobian ( )

overrideprotectedvirtual

If the variable is not a PorousFlow variable (very unusual), the diag Jacobian terms are 0

Definition at line 94 of file PorousFlowPreDis.C.

 {
   if (_dictator.notPorousFlowVariable(_var.number()))
     return 0.0;
   return computeQpJac(_dictator.porousFlowVariableNum(_var.number()));
 }

◆ computeQpOffDiagJacobian()

Real PorousFlowPreDis::computeQpOffDiagJacobian ( unsigned int jvar )

overrideprotectedvirtual

If the variable is not a PorousFlow variable, the OffDiag Jacobian terms are 0

Definition at line 103 of file PorousFlowPreDis.C.

 {
   if (_dictator.notPorousFlowVariable(jvar))
     return 0.0;
   return computeQpJac(_dictator.porousFlowVariableNum(jvar));
 }

◆ computeQpResidual()

Real PorousFlowPreDis::computeQpResidual ( )

overrideprotectedvirtual

Definition at line 74 of file PorousFlowPreDis.C.

 {
   /*
    *
    * 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
    *
    */
   Real res = 0.0;
   for (unsigned r = 0; r < _dictator.numAqueousKinetic(); ++r)
     res += _stoichiometry[r] * _mineral_density[r] * _reaction_rate[_i][r];
   return _test[_i][_qp] * res * _porosity_old[_i] * _saturation[_i][_aq_ph];
 }

Member Data Documentation

◆ _aq_ph

const unsigned int PorousFlowPreDis::_aq_ph

protected

Aqueous phase number.

Definition at line 42 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), and computeQpResidual().

◆ _dictator

const PorousFlowDictator& PorousFlowPreDis::_dictator

protected

PorousFlowDictator UserObject.

Definition at line 39 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), computeQpJacobian(), computeQpOffDiagJacobian(), computeQpResidual(), and PorousFlowPreDis().

◆ _dreaction_rate_dvar

const MaterialProperty<std::vector<std::vector<Real> > >& PorousFlowPreDis::_dreaction_rate_dvar

protected

d(reaction rate)/d(porflow variable)

Definition at line 57 of file PorousFlowPreDis.h.

Referenced by computeQpJac().

◆ _dsaturation_dvar

const MaterialProperty<std::vector<std::vector<Real> > >& PorousFlowPreDis::_dsaturation_dvar

protected

d(saturation)/d(PorousFlow var)

Definition at line 51 of file PorousFlowPreDis.h.

Referenced by computeQpJac().

◆ _mineral_density

const std::vector<Real> PorousFlowPreDis::_mineral_density

protected

Density of the mineral species.

Definition at line 36 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), computeQpResidual(), and PorousFlowPreDis().

◆ _porosity_old

const MaterialProperty<Real>& PorousFlowPreDis::_porosity_old

protected

Old value of porosity.

Definition at line 45 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), and computeQpResidual().

◆ _reaction_rate

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

protected

Reaction rate of the yielding the secondary species.

Definition at line 54 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), and computeQpResidual().

◆ _saturation

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

protected

Saturation.

Definition at line 48 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), and computeQpResidual().

◆ _stoichiometry

const std::vector<Real> PorousFlowPreDis::_stoichiometry

protected

Stoichiometric coefficients.

Definition at line 60 of file PorousFlowPreDis.h.

Referenced by computeQpJac(), computeQpResidual(), and PorousFlowPreDis().

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

porous_flow/include/kernels/PorousFlowPreDis.h
porous_flow/src/kernels/PorousFlowPreDis.C

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ PorousFlowPreDis()

Member Function Documentation

◆ computeQpJac()

◆ computeQpJacobian()

◆ computeQpOffDiagJacobian()

◆ computeQpResidual()

Member Data Documentation

◆ _aq_ph

◆ _dictator

◆ _dreaction_rate_dvar

◆ _dsaturation_dvar

◆ _mineral_density

◆ _porosity_old

◆ _reaction_rate

◆ _saturation

◆ _stoichiometry