LangmuirMaterial Class Reference

Holds Langmuir parameters associated with desorption Calculates mass-flow rates and derivatives thereof for use by kernels. More...

#include <LangmuirMaterial.h>

Inheritance diagram for LangmuirMaterial:

Public Member Functions
	LangmuirMaterial (const InputParameters &parameters)

Protected Member Functions
virtual void	computeQpProperties () override

Private Attributes
const VariableValue *	_one_over_de_time_const
	reciprocal of desorption time constant More...
const VariableValue *	_one_over_ad_time_const
	reciprocal of adsorption time constant More...
const Real	_langmuir_dens
	langmuir density More...
const Real	_langmuir_p
	langmuir pressure More...
const VariableValue *	_conc
	concentration of adsorbed fluid in matrix More...
const VariableValue *	_pressure
	porespace pressure (or partial pressure if multiphase flow scenario) More...
MaterialProperty< Real > &	_mass_rate_from_matrix
	mass flow rate from the matrix = mass flow rate to the porespace More...
MaterialProperty< Real > &	_dmass_rate_from_matrix_dC
	derivative of mass flow rate wrt concentration More...
MaterialProperty< Real > &	_dmass_rate_from_matrix_dp
	derivative of mass flow rate wrt pressure More...

Detailed Description

Holds Langmuir parameters associated with desorption Calculates mass-flow rates and derivatives thereof for use by kernels.

Definition at line 24 of file LangmuirMaterial.h.

Constructor & Destructor Documentation

LangmuirMaterial()

LangmuirMaterial::LangmuirMaterial

(

const InputParameters &

parameters

)

Definition at line 40 of file LangmuirMaterial.C.

  : Material(parameters),
    // coupledValue returns a reference (an alias) to a VariableValue, and the & turns it into a
    // pointer
    _one_over_de_time_const(&coupledValue("one_over_desorption_time_const")),
    _one_over_ad_time_const(&coupledValue("one_over_adsorption_time_const")),
 
    _langmuir_dens(getParam<Real>("langmuir_density")),
    _langmuir_p(getParam<Real>("langmuir_pressure")),
 
    _conc(&coupledValue("conc_var")),
    _pressure(&coupledValue("pressure_var")),
 
    _mass_rate_from_matrix(declareProperty<Real>("mass_rate_from_matrix")),
    _dmass_rate_from_matrix_dC(declareProperty<Real>("dmass_rate_from_matrix_dC")),
    _dmass_rate_from_matrix_dp(declareProperty<Real>("dmass_rate_from_matrix_dp"))
{
}

Member Function Documentation

computeQpProperties()

void LangmuirMaterial::computeQpProperties ( )

overrideprotectedvirtual

Definition at line 60 of file LangmuirMaterial.C.

{
  Real equilib_conc = _langmuir_dens * ((*_pressure)[_qp]) / (_langmuir_p + (*_pressure)[_qp]);
  Real dequilib_conc_dp =
      _langmuir_dens / (_langmuir_p + (*_pressure)[_qp]) -
      _langmuir_dens * ((*_pressure)[_qp]) / Utility::pow<2>(_langmuir_p + (*_pressure)[_qp]);
 
  // form the base rate and derivs without the appropriate time const
  _mass_rate_from_matrix[_qp] = (*_conc)[_qp] - equilib_conc;
  _dmass_rate_from_matrix_dC[_qp] = 1.0;
  _dmass_rate_from_matrix_dp[_qp] = -dequilib_conc_dp;
 
  // multiply by the appropriate time const
  if ((*_conc)[_qp] > equilib_conc)
  {
    _mass_rate_from_matrix[_qp] *= (*_one_over_de_time_const)[_qp];
    _dmass_rate_from_matrix_dC[_qp] *= (*_one_over_de_time_const)[_qp];
    _dmass_rate_from_matrix_dp[_qp] *= (*_one_over_de_time_const)[_qp];
  }
  else
  {
    _mass_rate_from_matrix[_qp] *= (*_one_over_ad_time_const)[_qp];
    _dmass_rate_from_matrix_dC[_qp] *= (*_one_over_ad_time_const)[_qp];
    _dmass_rate_from_matrix_dp[_qp] *= (*_one_over_ad_time_const)[_qp];
  }
}

Member Data Documentation

_conc

const VariableValue* LangmuirMaterial::_conc

private

concentration of adsorbed fluid in matrix

Definition at line 46 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_dmass_rate_from_matrix_dC

MaterialProperty<Real>& LangmuirMaterial::_dmass_rate_from_matrix_dC

private

derivative of mass flow rate wrt concentration

Definition at line 55 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_dmass_rate_from_matrix_dp

MaterialProperty<Real>& LangmuirMaterial::_dmass_rate_from_matrix_dp

private

derivative of mass flow rate wrt pressure

Definition at line 58 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_langmuir_dens

const Real LangmuirMaterial::_langmuir_dens

private

langmuir density

Definition at line 40 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_langmuir_p

const Real LangmuirMaterial::_langmuir_p

private

langmuir pressure

Definition at line 43 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_mass_rate_from_matrix

MaterialProperty<Real>& LangmuirMaterial::_mass_rate_from_matrix

private

mass flow rate from the matrix = mass flow rate to the porespace

Definition at line 52 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

_one_over_ad_time_const

const VariableValue* LangmuirMaterial::_one_over_ad_time_const

private

reciprocal of adsorption time constant

Definition at line 37 of file LangmuirMaterial.h.

_one_over_de_time_const

const VariableValue* LangmuirMaterial::_one_over_de_time_const

private

reciprocal of desorption time constant

Definition at line 34 of file LangmuirMaterial.h.

_pressure

const VariableValue* LangmuirMaterial::_pressure

private

porespace pressure (or partial pressure if multiphase flow scenario)

Definition at line 49 of file LangmuirMaterial.h.

Referenced by computeQpProperties().

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

• chemical_reactions/include/materials/LangmuirMaterial.h
• chemical_reactions/src/materials/LangmuirMaterial.C