MaterialPropertyLib::AverageMolarMass Class Reference

Detailed Description

Molar mass of a mixture by mole fraction weighted average \( M=\Sigma_\zeta x_{n,\alpha}^{\zeta}M^{\zeta}\).

This property must be a phase property.

Definition at line 29 of file AverageMolarMass.h.

#include <AverageMolarMass.h>

Inheritance diagram for MaterialPropertyLib::AverageMolarMass:

Collaboration diagram for MaterialPropertyLib::AverageMolarMass:

Public Member Functions
	AverageMolarMass (std::string name)
void	checkScale () const override
PropertyDataType	value (VariableArray const &variable_array, ParameterLib::SpatialPosition const &, double const, double const) const override
PropertyDataType	dValue (VariableArray const &variable_array, Variable const variable, ParameterLib::SpatialPosition const &, double const, double const) const override
PropertyDataType	d2Value (VariableArray const &variable_array, Variable const variable1, Variable const variable2, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const override
	Default implementation: 2nd derivative of any constant property is zero.
Public Member Functions inherited from MaterialPropertyLib::Property
virtual	~Property ()
virtual PropertyDataType	initialValue (ParameterLib::SpatialPosition const &pos, double const t) const
virtual PropertyDataType	value () const
virtual PropertyDataType	value (VariableArray const &variable_array, VariableArray const &variable_array_prev, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
virtual PropertyDataType	dValue (VariableArray const &variable_array, VariableArray const &variable_array_prev, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
virtual void	setProperties (std::vector< std::unique_ptr< Phase > > const &phases)
	Default implementation:
void	setScale (std::variant< Medium *, Phase *, Component * > scale)
template<typename T >
T	initialValue (ParameterLib::SpatialPosition const &pos, double const t) const
template<typename T >
T	value () const
template<typename T >
T	value (VariableArray const &variable_array, VariableArray const &variable_array_prev, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	value (VariableArray const &variable_array, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	dValue (VariableArray const &variable_array, VariableArray const &variable_array_prev, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	dValue (VariableArray const &variable_array, Variable const variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
template<typename T >
T	d2Value (VariableArray const &variable_array, Variable const &variable1, Variable const &variable2, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const

Additional Inherited Members
Protected Attributes inherited from MaterialPropertyLib::Property
std::string	name_
PropertyDataType	value_
	The single value of a property.
PropertyDataType	dvalue_
std::variant< Medium *, Phase *, Component * >	scale_

Constructor & Destructor Documentation

AverageMolarMass()

MaterialPropertyLib::AverageMolarMass::AverageMolarMass ( std::string name )

explicit

Definition at line 20 of file AverageMolarMass.cpp.

{
    name_ = std::move(name);
}

References MaterialPropertyLib::name, and MaterialPropertyLib::Property::name_.

Member Function Documentation

checkScale()

void MaterialPropertyLib::AverageMolarMass::checkScale ( ) const

overridevirtual

Reimplemented from MaterialPropertyLib::Property.

Definition at line 25 of file AverageMolarMass.cpp.

{
    if (!(std::holds_alternative<Phase*>(scale_)))
    {
        OGS_FATAL(
            "The property 'AverageMolarMass' is implemented on the 'phase' "
            "scale only.");
    }
}

References OGS_FATAL, and MaterialPropertyLib::Property::scale_.

d2Value()

PropertyDataType MaterialPropertyLib::AverageMolarMass::d2Value ( VariableArray const & variable_array, Variable const variable1, Variable const variable2, ParameterLib::SpatialPosition const & pos, double const t, double const dt ) const

overridevirtual

Default implementation: 2nd derivative of any constant property is zero.

This virtual method will compute the second derivative of a property with respect to the given variables pv1 and pv2.

Reimplemented from MaterialPropertyLib::Property.

Definition at line 130 of file AverageMolarMass.cpp.

{
    OGS_FATAL("AverageMolarMass::d2Value is not yet implemented.");
 
    return 0.;
}

References OGS_FATAL.

dValue()

PropertyDataType MaterialPropertyLib::AverageMolarMass::dValue ( VariableArray const & variable_array, Variable const variable, ParameterLib::SpatialPosition const & pos, double const t, double const dt ) const

overridevirtual

This virtual method will compute the property derivative value based on the variables that are passed as arguments with the default implementation using empty variables array for the previous time step.

The default implementation of this method only returns the property value derivative without altering it.

Reimplemented from MaterialPropertyLib::Property.

Definition at line 85 of file AverageMolarMass.cpp.

{
    if ((variable != Variable::gas_phase_pressure) &&
        (variable != Variable::temperature))
    {
        OGS_FATAL(
            "AverageMolarMass::dValue is implemented for derivatives with "
            "respect to phase_pressure or temperature only.");
    }
 
    auto phase = std::get<Phase*>(scale_);
 
    auto const numberOfComponents = phase->numberOfComponents();
    if (numberOfComponents <= 1)
    {
        return 0.;
    }
    else if (numberOfComponents > 2)
    {
        OGS_FATAL(
            "AverageMolarMass::dValue is currently implemented two or less "
            "phase components only.");
    }
 
    // TODO (grunwald) : This should return a vector of length
    // phase->numberOfComponents(). Currently, this feature is implemented
    // for binary phases only.
    auto const dxnC = phase->property(PropertyType::mole_fraction)
                          .template dValue<Eigen::Vector2d>(
                              variable_array, variable, pos, t, dt)[0];
 
    auto const M_0 = phase->component(0)
                         .property(PropertyType::molar_mass)
                         .template value<double>(variable_array, pos, t, dt);
    auto const M_1 = phase->component(1)
                         .property(PropertyType::molar_mass)
                         .template value<double>(variable_array, pos, t, dt);
 
    return dxnC * (M_0 - M_1);
 
}  // namespace MaterialPropertyLib

References dValue(), MaterialPropertyLib::gas_phase_pressure, MaterialPropertyLib::molar_mass, MaterialPropertyLib::mole_fraction, OGS_FATAL, MaterialPropertyLib::Property::scale_, MaterialPropertyLib::temperature, and MaterialPropertyLib::Property::value().

Referenced by dValue().

value()

PropertyDataType MaterialPropertyLib::AverageMolarMass::value ( VariableArray const & variable_array, ParameterLib::SpatialPosition const & pos, double const t, double const dt ) const

overridevirtual

This virtual method will compute the property value based on the variables that are passed as arguments with the default implementation using empty variables array for the previous time step.

Reimplemented from MaterialPropertyLib::Property.

Definition at line 35 of file AverageMolarMass.cpp.

{
    auto phase = std::get<Phase*>(scale_);
    auto const numberOfComponents = phase->numberOfComponents();
    if (numberOfComponents < 1)
    {
        // if phase contains no components, jst return phase molar mass
        return phase->property(PropertyType::molar_mass)
            .template value<double>(variable_array, pos, t, dt);
    }
    else if (numberOfComponents > 2)
    {
        OGS_FATAL(
            "AverageMolarMass::value only allows for phases consisting of up "
            "to two components.");
    }
 
    // TODO (grunwald) : Task here is to retrieve the individual molar fractions
    // of each compontne in the phase. Those are not static properties (as in
    // case of molar mass), but they depend on some state-dependent rule. Option
    // 1 is to call that rule here, option 2 would be to wrap this composition
    // info into some container and to put it into the variable_array. This
    // would have to be a vector of variable size, depending on the number of
    // components. Unfortunately, the data types of MPL::VariableArray do not
    // include such a type.
    //
    // Therefore, I go with option 1 here, which unfortunately only allows the
    // use of binary mixtures at the moment.
    auto const molar_fraction =
        phase->property(PropertyType::mole_fraction)
            .template value<Eigen::Vector2d>(variable_array, pos, t, dt);
 
    double M = 0.;
    for (size_t c = 0; c < numberOfComponents; c++)
    {
        auto const M_zeta =
            phase->component(c)
                .property(PropertyType::molar_mass)
                .template value<double>(variable_array, pos, t, dt);
        auto const xn_zeta = molar_fraction[c];
 
        M += xn_zeta * M_zeta;
    }
 
    return M;
}

References MaterialPropertyLib::c, MaterialPropertyLib::molar_fraction, MaterialPropertyLib::molar_mass, MaterialPropertyLib::mole_fraction, OGS_FATAL, MaterialPropertyLib::Property::scale_, and MaterialPropertyLib::Property::value().

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

• MaterialLib/MPL/Properties/AverageMolarMass.h
• MaterialLib/MPL/Properties/AverageMolarMass.cpp