MaterialPropertyLib::ClausiusClapeyron Class Reference

Detailed Description

Vapour pressure as function of temperature based on Clausius-Clapeyron equation. This property must be either a phase or a component property, it computes the saturation vapour pressure of a substance

Definition at line 29 of file ClausiusClapeyron.h.

#include <ClausiusClapeyron.h>

Inheritance diagram for MaterialPropertyLib::ClausiusClapeyron:

Collaboration diagram for MaterialPropertyLib::ClausiusClapeyron:

Public Member Functions
	ClausiusClapeyron (std::string name, const double triple_temperature, const double triple_pressure, const double critical_temperature, const double critical_pressure, const double ref_temperature, const double ref_pressure)
void	checkScale () const override
PropertyDataType	value (VariableArray const &variable_array, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const override
PropertyDataType	dValue (VariableArray const &variable_array, Variable const primary_variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const override
PropertyDataType	d2Value (VariableArray const &variable_array, Variable const primary_variable1, Variable const primary_variable2, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const override
	Default implementation: 2nd derivative of any constant property is zero. More...
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
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

Private Member Functions
double	molarMass (std::variant< Medium *, Phase *, Component * > const scale, VariableArray const &variable_array, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const
double	dMolarMass (std::variant< Medium *, Phase *, Component * > const scale, VariableArray const &variable_array, Variable const primary_variable, ParameterLib::SpatialPosition const &pos, double const t, double const dt) const

Private Attributes
double	T_triple_
double	p_triple_
double	T_critical_
double	p_critical_
double	T_ref_
double	p_ref_

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

Constructor & Destructor Documentation

ClausiusClapeyron()

MaterialPropertyLib::ClausiusClapeyron::ClausiusClapeyron ( std::string  name, const double  triple_temperature, const double  triple_pressure, const double  critical_temperature, const double  critical_pressure, const double  ref_temperature, const double  ref_pressure  )

explicit

Definition at line 23 of file ClausiusClapeyron.cpp.

    : T_triple_(triple_temperature),
      p_triple_(triple_pressure),
      T_critical_(critical_temperature),
      p_critical_(critical_pressure),
      T_ref_(ref_temperature),
      p_ref_(ref_pressure)
{
    name_ = std::move(name);
}

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

Member Function Documentation

checkScale()

void MaterialPropertyLib::ClausiusClapeyron::checkScale ( ) const

overridevirtual

Reimplemented from MaterialPropertyLib::Property.

Definition at line 40 of file ClausiusClapeyron.cpp.

{
    if (!(std::holds_alternative<Phase*>(scale_) ||
          std::holds_alternative<Component*>(scale_)))
    {
        OGS_FATAL(
            "The property 'ClausiusClapeyron' is implemented on 'phase' and "
            "'component' scales only.");
    }
}

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

d2Value()

PropertyDataType MaterialPropertyLib::ClausiusClapeyron::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 147 of file ClausiusClapeyron.cpp.

{
    OGS_FATAL("ClausiusClapeyron::d2Value is not implemented.");
}

References OGS_FATAL.

dMolarMass()

double MaterialPropertyLib::ClausiusClapeyron::dMolarMass ( std::variant< Medium *, Phase *, Component * > const  scale, VariableArray const &  variable_array, Variable const  primary_variable, ParameterLib::SpatialPosition const &  pos, double const  t, double const  dt  ) const

private

Definition at line 66 of file ClausiusClapeyron.cpp.

{
    return std::visit(
        [&variable_array, &primary_variable, &pos, t, dt](auto&& s) -> double
        {
            return s->property(PropertyType::molar_mass)
                .template dValue<double>(variable_array, primary_variable, pos,
                                         t, dt);
        },
        scale);
}

References MaterialPropertyLib::molar_mass, and MathLib::LinAlg::scale().

Referenced by dValue().

dValue()

PropertyDataType MaterialPropertyLib::ClausiusClapeyron::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 108 of file ClausiusClapeyron.cpp.

{
    const double T = std::get<double>(
        variable_array[static_cast<int>(Variable::temperature)]);
 
    const double M = molarMass(scale_, variable_array, pos, t, dt);
    const double dM =
        dMolarMass(scale_, variable_array, primary_variable, pos, t, dt);
 
    if (T > T_critical_)
    {
        return 0.;
    }
    if (T < T_triple_)
    {
        return 0.;
    }
 
    const double R = MaterialLib::PhysicalConstant::IdealGasConstant;
    const double dh = std::get<double>(
        variable_array[static_cast<int>(Variable::enthalpy_of_evaporation)]);
    const double p_vap = std::get<double>(value(variable_array, pos, t, dt));
 
    if (primary_variable == Variable::temperature)
    {
        return p_vap * dh / R * ((1. / T_ref_ - 1. / T) * dM + M / (T * T));
    }
    if (primary_variable == Variable::phase_pressure)
    {
        return p_vap * dh / R * (1. / T_ref_ - 1. / T) * dM;
    }
    OGS_FATAL(
        "ClausiusClapeyron::dValue is implemented for derivatives with respect "
        "to phase pressure or temperature only.");
}

References dMolarMass(), MaterialPropertyLib::enthalpy_of_evaporation, MaterialLib::PhysicalConstant::IdealGasConstant, molarMass(), OGS_FATAL, MaterialPropertyLib::phase_pressure, MaterialPropertyLib::Property::scale_, T_critical_, T_ref_, T_triple_, MaterialPropertyLib::temperature, and MaterialPropertyLib::Property::value().

molarMass()

double MaterialPropertyLib::ClausiusClapeyron::molarMass ( std::variant< Medium *, Phase *, Component * > const  scale, VariableArray const &  variable_array, ParameterLib::SpatialPosition const &  pos, double const  t, double const  dt  ) const

private

Definition at line 51 of file ClausiusClapeyron.cpp.

{
    return std::visit(
        [&variable_array, &pos, t, dt](auto&& s) -> double
        {
            return s->property(PropertyType::molar_mass)
                .template value<double>(variable_array, pos, t, dt);
        },
        scale);
}

References MaterialPropertyLib::molar_mass, and MathLib::LinAlg::scale().

Referenced by dValue(), and value().

value()

PropertyDataType MaterialPropertyLib::ClausiusClapeyron::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 82 of file ClausiusClapeyron.cpp.

{
    const double T = std::get<double>(
        variable_array[static_cast<int>(Variable::temperature)]);
 
    const double M = molarMass(scale_, variable_array, pos, t, dt);
 
    if (T >= T_critical_)
    {
        return p_critical_;
    }
    if (T <= T_triple_)
    {
        return p_triple_;
    }
 
    const double dh = std::get<double>(
        variable_array[static_cast<int>(Variable::enthalpy_of_evaporation)]);
    const double R = MaterialLib::PhysicalConstant::IdealGasConstant;
 
    return p_ref_ * std::exp((1. / T_ref_ - 1. / T) * M * dh / R);
}

References MaterialPropertyLib::enthalpy_of_evaporation, MaterialLib::PhysicalConstant::IdealGasConstant, molarMass(), p_critical_, p_ref_, p_triple_, MaterialPropertyLib::Property::scale_, T_critical_, T_ref_, T_triple_, and MaterialPropertyLib::temperature.

Member Data Documentation

p_critical_

double MaterialPropertyLib::ClausiusClapeyron::p_critical_

private

Definition at line 62 of file ClausiusClapeyron.h.

Referenced by value().

p_ref_

double MaterialPropertyLib::ClausiusClapeyron::p_ref_

private

Definition at line 64 of file ClausiusClapeyron.h.

Referenced by value().

p_triple_

double MaterialPropertyLib::ClausiusClapeyron::p_triple_

private

Definition at line 60 of file ClausiusClapeyron.h.

Referenced by value().

T_critical_

double MaterialPropertyLib::ClausiusClapeyron::T_critical_

private

Definition at line 61 of file ClausiusClapeyron.h.

Referenced by dValue(), and value().

T_ref_

double MaterialPropertyLib::ClausiusClapeyron::T_ref_

private

Definition at line 63 of file ClausiusClapeyron.h.

Referenced by dValue(), and value().

T_triple_

double MaterialPropertyLib::ClausiusClapeyron::T_triple_

private

Definition at line 59 of file ClausiusClapeyron.h.

Referenced by dValue(), and value().

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

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