AbstractCubicAlphaFunction Class Reference

Detailed Description

An abstract alpha function for the EOS, defining the interface for the alpha function.

Definition at line 25 of file GeneralizedCubic.h.

#include <GeneralizedCubic.h>

Inheritance diagram for AbstractCubicAlphaFunction:

Public Member Functions
virtual	~AbstractCubicAlphaFunction ()=default
virtual double	term (double tau, std::size_t itau)=0
	A "term" is the value of a_ii(tau) = a0_ii * alpha(tau), or one of its tau-derivatives, for this pure component's attractive energy parameter. More...
virtual void	calc_all_terms (double tau, std::array< double, 5 > &terms)
	Compute all 5 tau-derivatives at once. Default falls back to 5 separate term() calls. More...
void	set_Tr_over_Tci (double Tr_over_Tci)
unsigned long	version () const
	AbstractCubicAlphaFunction (double a0, double Tr_over_Tci)

Protected Attributes
double	a0
	The constant term multiplying the alpha function. More...
double	Tr_over_Tci
	The (constant) reducing temperature divided by the critical temperature of the pure component. More...
double	sqrt_Tr_Tci
	The sqrt of the (constant) reducing temperature divided by the critical temperature of the pure component. More...
std::vector< double >	c
unsigned long	m_version = 0

Constructor & Destructor Documentation

~AbstractCubicAlphaFunction()

virtual AbstractCubicAlphaFunction::~AbstractCubicAlphaFunction ( )

virtualdefault

AbstractCubicAlphaFunction()

AbstractCubicAlphaFunction::AbstractCubicAlphaFunction ( double  a0, double  Tr_over_Tci  )

inline

Definition at line 64 of file GeneralizedCubic.h.

Member Function Documentation

calc_all_terms()

virtual void AbstractCubicAlphaFunction::calc_all_terms ( double  tau, std::array< double, 5 > &  terms  )

inlinevirtual

Compute all 5 tau-derivatives at once. Default falls back to 5 separate term() calls.

Reimplemented in BasicMathiasCopemanAlphaFunction, TwuAlphaFunction, and MathiasCopemanAlphaFunction.

Definition at line 49 of file GeneralizedCubic.h.

set_Tr_over_Tci()

void AbstractCubicAlphaFunction::set_Tr_over_Tci ( double  Tr_over_Tci )

inline

Definition at line 53 of file GeneralizedCubic.h.

term()

virtual double AbstractCubicAlphaFunction::term ( double  tau, std::size_t  itau  )

pure virtual

A "term" is the value of a_ii(tau) = a0_ii * alpha(tau), or one of its tau-derivatives, for this pure component's attractive energy parameter.

Parameters

tau	The reciprocal reduced temperature, Tr/T
itau	The order of the derivative with respect to tau to return: itau=0 returns a_ii itself, itau=1 returns da_ii/dtau, itau=2 the second derivative, and so on. Implementations support itau in the range 0-4 and throw for higher orders.

Implemented in BasicMathiasCopemanAlphaFunction, TwuAlphaFunction, and MathiasCopemanAlphaFunction.

version()

unsigned long AbstractCubicAlphaFunction::version ( ) const

inline

Monotonically increasing counter bumped whenever this alpha function's parameters change; callers that cache term() values (e.g., AbstractCubic::_ensure_aii_cache) can compare this against a previously-recorded value to detect stale cache entries.

Definition at line 61 of file GeneralizedCubic.h.

Member Data Documentation

a0

double AbstractCubicAlphaFunction::a0

protected

The constant term multiplying the alpha function.

Definition at line 28 of file GeneralizedCubic.h.

c

std::vector<double> AbstractCubicAlphaFunction::c

protected

The vector of constants

Definition at line 31 of file GeneralizedCubic.h.

m_version

unsigned long AbstractCubicAlphaFunction::m_version = 0

protected

Incremented every time a parameter that affects term() changes (e.g., set_Tr_over_Tci()); used by AbstractCubic's aii cache to detect when cached term() values are stale.

Definition at line 34 of file GeneralizedCubic.h.

sqrt_Tr_Tci

double AbstractCubicAlphaFunction::sqrt_Tr_Tci

protected

The sqrt of the (constant) reducing temperature divided by the critical temperature of the pure component.

Definition at line 30 of file GeneralizedCubic.h.

Tr_over_Tci

double AbstractCubicAlphaFunction::Tr_over_Tci

protected

The (constant) reducing temperature divided by the critical temperature of the pure component.

Definition at line 29 of file GeneralizedCubic.h.

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

• src/Backends/Cubics/GeneralizedCubic.h