Implementation of an excluded volume model with components. More...

#include <ExcludedVolumeModelsMulti.h>

Inheritance diagram for thermalfist::ExcludedVolumeModelComponents:

Public Member Functions
	ExcludedVolumeModelComponents (int components, const std::vector< ExcludedVolumeModelBase * > &evmods, const std::vector< int > &ind, const std::vector< double > &b, const std::vector< double > &dbdT=std::vector< double >())
	Constructor for the ExcludedVolumeModelComponents class.

virtual	~ExcludedVolumeModelComponents ()
	Destructor for the ExcludedVolumeModelComponents 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.

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

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 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< ExcludedVolumeModelBase * >	m_evmodels

std::vector< double >	m_b

std::vector< double >	m_dbdT

std::vector< double >	m_densities_components

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

std::vector< double >	m_previousSolComponents
	Cached previous Broyden solution (per component) for use as initial guess.

bool	m_hasPreviousSolComponents = false

Detailed Description

Implementation of an excluded volume model with components.

This class implements an excluded volume model where particles are grouped into components with similar excluded volume properties.

Definition at line 647 of file ExcludedVolumeModelsMulti.h.

Constructor & Destructor Documentation

◆ ExcludedVolumeModelComponents()

thermalfist::ExcludedVolumeModelComponents::ExcludedVolumeModelComponents	(	int	components,
		const std::vector< ExcludedVolumeModelBase * > &	evmods,
		const std::vector< int > &	ind,
		const std::vector< double > &	b,
		const std::vector< double > &	dbdT = std::vector<double>() )

inline

Constructor for the ExcludedVolumeModelComponents class.

Parameters

components	Number of components.
evmods	Vector of excluded volume models for each component.
ind	Vector of component indices for each particle species.
b	Vector of excluded volumes for each species.
dbdT	Vector of temperature derivatives of excluded volumes (optional).