Base class for multi-component excluded volume models. More...

#include <ExcludedVolumeModelsMulti.h>

Inheritance diagram for thermalfist::ExcludedVolumeModelMultiBase:

Classes
class	BroydenEquationsEVMulti

class	BroydenJacobianEVMulti

Public Member Functions
	ExcludedVolumeModelMultiBase (int N)
	Constructor for the ExcludedVolumeModelMultiBase class.

virtual	~ExcludedVolumeModelMultiBase ()

virtual double	f (int i) const
	Calculates the suppression factor for species i.

virtual double	df (int i, int j) const
	Calculates the first derivative of the suppression factor.

virtual double	d2f (int i, int j, int k) const
	Calculates the second derivative of the suppression factor.

virtual double	d3f (int i, int j, int k, int l) const
	Calculates the third derivative of the suppression factor.

virtual double	d4f (int i, int j, int k, int l, int m) const
	Calculates the fourth derivative of the suppression factor.

virtual double	dfdT (int i) const
	Calculates the temperature derivative of the suppression factor.

virtual std::vector< double >	nsol (const std::vector< double > &ntil)
	Solves for the actual densities given the ideal gas densities.

virtual std::vector< double >	nsolBroyden (const std::vector< double > &ntil)
	Solves for the actual densities using Broyden's method.

virtual std::vector< double >	nsolBroydenComponents (const std::vector< double > &ntil)
	Solves for the actual densities using Broyden's method, considering components.

virtual void	SetDensities (const std::vector< double > &n)
	Sets the densities of particle species.

virtual const std::vector< int > &	ComponentIndices () const
	Gets the component indices.

virtual const std::vector< int > &	ComponentIndicesFrom () const
	Gets the component indices from.

virtual const int	ComponentsNumber () const
	Gets the number of components.

Protected Member Functions
virtual void	ComputeComponents ()
	Computes the components based on the excluded volume parameters.

Protected Attributes
int	m_N

std::vector< double >	m_densities

std::vector< int >	m_components

std::vector< int >	m_componentsFrom

int	m_componentsNumber

Detailed Description

Base class for multi-component excluded volume models.

This class serves as the base for all multi-component excluded volume models, providing the interface for calculating the excluded volume effects in a system with multiple particle species.

Definition at line 25 of file ExcludedVolumeModelsMulti.h.

Constructor & Destructor Documentation

◆ ExcludedVolumeModelMultiBase()

thermalfist::ExcludedVolumeModelMultiBase::ExcludedVolumeModelMultiBase ( int N )

inline

Constructor for the ExcludedVolumeModelMultiBase class.

Parameters

N	Number of particle species in the system.

Definition at line 32 of file ExcludedVolumeModelsMulti.h.

◆ ~ExcludedVolumeModelMultiBase()

virtual thermalfist::ExcludedVolumeModelMultiBase::~ExcludedVolumeModelMultiBase ( )

inlinevirtual

Definition at line 39 of file ExcludedVolumeModelsMulti.h.

Member Function Documentation

◆ ComponentIndices()

virtual const std::vector< int > & thermalfist::ExcludedVolumeModelMultiBase::ComponentIndices ( ) const

inlinevirtual

Gets the component indices.

Returns: Vector of component indices.

Definition at line 135 of file ExcludedVolumeModelsMulti.h.

◆ ComponentIndicesFrom()

virtual const std::vector< int > & thermalfist::ExcludedVolumeModelMultiBase::ComponentIndicesFrom ( ) const

inlinevirtual

Gets the component indices from.

Returns: Vector of component indices from.

Definition at line 142 of file ExcludedVolumeModelsMulti.h.

◆ ComponentsNumber()

virtual const int thermalfist::ExcludedVolumeModelMultiBase::ComponentsNumber ( ) const

inlinevirtual

Gets the number of components.

Returns: Number of components.

Definition at line 149 of file ExcludedVolumeModelsMulti.h.

◆ ComputeComponents()

void thermalfist::ExcludedVolumeModelMultiBase::ComputeComponents ( )

protectedvirtual

Computes the components based on the excluded volume parameters.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 311 of file ExcludedVolumeModelsMulti.cpp.

◆ d2f()

virtual double thermalfist::ExcludedVolumeModelMultiBase::d2f	(	int	i,
		int	j,
		int	k ) const

inlinevirtual

Calculates the second derivative of the suppression factor.

Parameters

i	First species index.
j	Second species index.
k	Third species index.

Returns: Second derivative of the suppression factor.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 66 of file ExcludedVolumeModelsMulti.h.

◆ d3f()

virtual double thermalfist::ExcludedVolumeModelMultiBase::d3f	(	int	i,
		int	j,
		int	k,
		int	l ) const

inlinevirtual

Calculates the third derivative of the suppression factor.

Parameters

i	First species index.
j	Second species index.
k	Third species index.
l	Fourth species index.

Returns: Third derivative of the suppression factor.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 77 of file ExcludedVolumeModelsMulti.h.

◆ d4f()

virtual double thermalfist::ExcludedVolumeModelMultiBase::d4f	(	int	i,
		int	j,
		int	k,
		int	l,
		int	m ) const

inlinevirtual

Calculates the fourth derivative of the suppression factor.

Parameters

i	First species index.
j	Second species index.
k	Third species index.
l	Fourth species index.
m	Fifth species index.

Returns: Fourth derivative of the suppression factor.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 89 of file ExcludedVolumeModelsMulti.h.

◆ df()

virtual double thermalfist::ExcludedVolumeModelMultiBase::df	(	int	i,
		int	j ) const

inlinevirtual

Calculates the first derivative of the suppression factor.

Parameters

i	First species index.
j	Second species index.

Returns: First derivative of the suppression factor.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 56 of file ExcludedVolumeModelsMulti.h.

◆ dfdT()

virtual double thermalfist::ExcludedVolumeModelMultiBase::dfdT ( int i ) const

inlinevirtual

Calculates the temperature derivative of the suppression factor.

Parameters

i	Species index.

Returns: Temperature derivative of the suppression factor.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 97 of file ExcludedVolumeModelsMulti.h.

◆ f()

virtual double thermalfist::ExcludedVolumeModelMultiBase::f ( int i ) const

inlinevirtual

Calculates the suppression factor for species i.

Parameters

i	Index of the particle species.

Returns: Suppression factor for species i.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 47 of file ExcludedVolumeModelsMulti.h.

◆ nsol()

virtual std::vector< double > thermalfist::ExcludedVolumeModelMultiBase::nsol ( const std::vector< double > & ntil )

inlinevirtual

Solves for the actual densities given the ideal gas densities.

Parameters

ntil	Vector of ideal gas densities.

Returns: Vector of actual densities.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, thermalfist::ExcludedVolumeModelCrosstermsVDW, thermalfist::ExcludedVolumeModelDiagonalGeneralized, and thermalfist::ExcludedVolumeModelDiagonalVDW.

Definition at line 105 of file ExcludedVolumeModelsMulti.h.

◆ nsolBroyden()

std::vector< double > thermalfist::ExcludedVolumeModelMultiBase::nsolBroyden ( const std::vector< double > & ntil )

virtual

Solves for the actual densities using Broyden's method.

Parameters

ntil	Vector of ideal gas densities.

Returns: Vector of actual densities.

Definition at line 278 of file ExcludedVolumeModelsMulti.cpp.

◆ nsolBroydenComponents()

std::vector< double > thermalfist::ExcludedVolumeModelMultiBase::nsolBroydenComponents ( const std::vector< double > & ntil )

virtual

Solves for the actual densities using Broyden's method, considering components.

Parameters

ntil	Vector of ideal gas densities.

Returns: Vector of actual densities.

Definition at line 294 of file ExcludedVolumeModelsMulti.cpp.

◆ SetDensities()

virtual void thermalfist::ExcludedVolumeModelMultiBase::SetDensities ( const std::vector< double > & n )

inlinevirtual

Sets the densities of particle species.

Parameters

n	Vector of densities.

Reimplemented in thermalfist::ExcludedVolumeModelComponents, thermalfist::ExcludedVolumeModelCrosstermsGeneralized, and thermalfist::ExcludedVolumeModelDiagonalGeneralized.

Definition at line 128 of file ExcludedVolumeModelsMulti.h.

Member Data Documentation

◆ m_components

std::vector<int> thermalfist::ExcludedVolumeModelMultiBase::m_components

protected

Definition at line 157 of file ExcludedVolumeModelsMulti.h.

◆ m_componentsFrom

std::vector<int> thermalfist::ExcludedVolumeModelMultiBase::m_componentsFrom

protected

Definition at line 158 of file ExcludedVolumeModelsMulti.h.

◆ m_componentsNumber

int thermalfist::ExcludedVolumeModelMultiBase::m_componentsNumber

protected

Definition at line 159 of file ExcludedVolumeModelsMulti.h.

◆ m_densities

std::vector<double> thermalfist::ExcludedVolumeModelMultiBase::m_densities

protected

Definition at line 156 of file ExcludedVolumeModelsMulti.h.

◆ m_N

int thermalfist::ExcludedVolumeModelMultiBase::m_N

protected

Definition at line 155 of file ExcludedVolumeModelsMulti.h.

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

include/HRGRealGas/ExcludedVolumeModelsMulti.h
src/library/HRGRealGas/ExcludedVolumeModelsMulti.cpp

Classes

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ ExcludedVolumeModelMultiBase()

◆ ~ExcludedVolumeModelMultiBase()

Member Function Documentation

◆ ComponentIndices()

◆ ComponentIndicesFrom()

◆ ComponentsNumber()

◆ ComputeComponents()

◆ d2f()

◆ d3f()

◆ d4f()

◆ df()

◆ dfdT()

◆ f()

◆ nsol()

◆ nsolBroyden()

◆ nsolBroydenComponents()

◆ SetDensities()

Member Data Documentation

◆ m_components

◆ m_componentsFrom

◆ m_componentsNumber

◆ m_densities

◆ m_N