thermalfist::ExcludedVolumeModelCrosstermsVDW Class Reference

Implementation of the crossterms van der Waals excluded volume model. More...

#include <ExcludedVolumeModelsMulti.h>

Inheritance diagram for thermalfist::ExcludedVolumeModelCrosstermsVDW:

Public Member Functions
	ExcludedVolumeModelCrosstermsVDW (const std::vector< std::vector< double > > &b, const std::vector< std::vector< double > > &dbdT=std::vector< std::vector< double > >())
	Constructor for the ExcludedVolumeModelCrosstermsVDW class.
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 > &nid)
	Solves for the actual densities given the ideal gas densities.
Public Member Functions inherited from thermalfist::ExcludedVolumeModelMultiBase
	ExcludedVolumeModelMultiBase (int N)
	Constructor for the ExcludedVolumeModelMultiBase class.
virtual	~ExcludedVolumeModelMultiBase ()
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
std::vector< std::vector< double > >	m_b
std::vector< std::vector< double > >	m_dbdT
Protected Attributes inherited from thermalfist::ExcludedVolumeModelMultiBase
int	m_N
std::vector< double >	m_densities
std::vector< int >	m_components
std::vector< int >	m_componentsFrom
int	m_componentsNumber

Detailed Description

Implementation of the crossterms van der Waals excluded volume model.

This class implements the crossterms van der Waals excluded volume model, where interactions between different particle species are considered.

Definition at line 436 of file ExcludedVolumeModelsMulti.h.

Constructor & Destructor Documentation

ExcludedVolumeModelCrosstermsVDW()

thermalfist::ExcludedVolumeModelCrosstermsVDW::ExcludedVolumeModelCrosstermsVDW ( const std::vector< std::vector< double > > & b, const std::vector< std::vector< double > > & dbdT = std::vector< std::vector<double> >() )

inline

Constructor for the ExcludedVolumeModelCrosstermsVDW class.

Parameters

b	Matrix of excluded volumes between species.
dbdT	Matrix of temperature derivatives of excluded volumes (optional).

Definition at line 445 of file ExcludedVolumeModelsMulti.h.

Member Function Documentation

ComputeComponents()

void thermalfist::ExcludedVolumeModelCrosstermsVDW::ComputeComponents ( )

protectedvirtual

Computes the components based on the excluded volume parameters.

Reimplemented from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 104 of file ExcludedVolumeModelsMulti.cpp.

d2f()

virtual double thermalfist::ExcludedVolumeModelCrosstermsVDW::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 from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 474 of file ExcludedVolumeModelsMulti.h.

d3f()

virtual double thermalfist::ExcludedVolumeModelCrosstermsVDW::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 from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 484 of file ExcludedVolumeModelsMulti.h.

d4f()

virtual double thermalfist::ExcludedVolumeModelCrosstermsVDW::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 from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 495 of file ExcludedVolumeModelsMulti.h.

df()

double thermalfist::ExcludedVolumeModelCrosstermsVDW::df ( int i, int j ) const

virtual

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 from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 68 of file ExcludedVolumeModelsMulti.cpp.

dfdT()

double thermalfist::ExcludedVolumeModelCrosstermsVDW::dfdT ( int i ) const

virtual

Calculates the temperature derivative of the suppression factor.

Parameters

i	Species index.

Returns

Temperature derivative of the suppression factor.

Reimplemented from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 73 of file ExcludedVolumeModelsMulti.cpp.

f()

double thermalfist::ExcludedVolumeModelCrosstermsVDW::f ( int i ) const

virtual

Calculates the suppression factor for species i.

Parameters

i	Index of the particle species.

Returns

Suppression factor for species i.

Reimplemented from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 60 of file ExcludedVolumeModelsMulti.cpp.

nsol()

std::vector< double > thermalfist::ExcludedVolumeModelCrosstermsVDW::nsol ( const std::vector< double > & nid )

virtual

Solves for the actual densities given the ideal gas densities.

Parameters

nid	Vector of ideal gas densities.

Returns

Vector of actual densities.

Reimplemented from thermalfist::ExcludedVolumeModelMultiBase.

Definition at line 81 of file ExcludedVolumeModelsMulti.cpp.

Member Data Documentation

m_b

std::vector< std::vector<double> > thermalfist::ExcludedVolumeModelCrosstermsVDW::m_b

protected

Definition at line 515 of file ExcludedVolumeModelsMulti.h.

m_dbdT

std::vector< std::vector<double> > thermalfist::ExcludedVolumeModelCrosstermsVDW::m_dbdT

protected

Definition at line 516 of file ExcludedVolumeModelsMulti.h.

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

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