Classes
struct	mixture_VLE_IO

class	newton_raphson_saturation
	A class to do newton raphson solver for mixture bubble point and dew point calculations. More...

struct	newton_raphson_saturation_options

class	newton_raphson_twophase
	A class to do newton raphson solver for mixture VLE for p,Q or T,Q. More...

struct	newton_raphson_twophase_options

class	PTflash_twophase
	Isothermal-Isobaric (PT) two-phase flash solver. More...

struct	PTflash_twophase_options
	Options and results for the PT flash two-phase solver. More...

struct	saturation_D_pure_options

struct	saturation_PHSU_pure_options

struct	saturation_T_pure_Akasaka_options

struct	saturation_T_pure_options

struct	SuccessiveSubstitutionStep

class	WilsonK_resid

Enumerations
enum	sstype_enum { imposed_T , imposed_p }

Functions
void	saturation_D_pure (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl rhomolar, saturation_D_pure_options &options)

void	saturation_T_pure (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl T, saturation_T_pure_options &options)

void	saturation_T_pure_Akasaka (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl T, saturation_T_pure_Akasaka_options &options)

void	saturation_T_pure_Maxwell (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl T, saturation_T_pure_Akasaka_options &options)

void	saturation_PHSU_pure (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl specified_value, saturation_PHSU_pure_options &options)

void	saturation_P_pure_1D_T (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl p, saturation_PHSU_pure_options &options)

void	saturation_T_pure_1D_P (HelmholtzEOSMixtureBackend &HEOS, CoolPropDbl T, saturation_T_pure_options &options)

void	saturation_critical (HelmholtzEOSMixtureBackend &HEOS, CoolProp::parameters ykey, CoolPropDbl y)

void	successive_substitution (HelmholtzEOSMixtureBackend &HEOS, const CoolPropDbl beta, CoolPropDbl T, CoolPropDbl p, const std::vector< CoolPropDbl > &z, std::vector< CoolPropDbl > &K, mixture_VLE_IO &options)

void	x_and_y_from_K (CoolPropDbl beta, const std::vector< CoolPropDbl > &K, const std::vector< CoolPropDbl > &z, std::vector< CoolPropDbl > &x, std::vector< CoolPropDbl > &y)
	Extract the mole fractions of liquid (x) and vapor (y) given the bulk composition (z), vapor mole fraction and K-factors. More...

void	successive_substitution_guessrho (HelmholtzEOSMixtureBackend &HEOS, std::vector< CoolPropDbl > &x, std::vector< CoolPropDbl > &y, CoolPropDbl &rhomolar_liq, CoolPropDbl &rhomolar_vap, const std::vector< CoolPropDbl > &z, int num_steps, double tol=1e-6)
	Refine a two-phase guess (x, y, rhomolar_liq, rhomolar_vap) in place by successive substitution at fixed (T, p): re-solve each phase density near its current guess, recompute the K-factors from the fugacity-coefficient ratio, and re-split via Rachford-Rice. Stops early when max \|Δln K\| across components falls below tol. Used to seed the second-order (Michelsen) PT phase-split solver from a cheap estimate. (Adapted from jakobreichert's PR #2720.) More...

bool	guess_split_from_wilson (HelmholtzEOSMixtureBackend &HEOS, std::vector< CoolPropDbl > &x, std::vector< CoolPropDbl > &y, CoolPropDbl &rhomolar_liq, CoolPropDbl &rhomolar_vap, const std::vector< CoolPropDbl > &z, CoolPropDbl T, CoolPropDbl p, int num_steps, bool require_bracket=true)
	Seed a two-phase guess (x, y, rhomolar_liq, rhomolar_vap) from the ideal (Wilson) K-factor estimate at fixed (T, p) and refine it by successive substitution. The liquid phase is seeded at the incipient (heavy-rich) composition rather than the feed, so the split does not collapse to the trivial solution near the dew point. Returns false when the Wilson estimate places the feed outside its bubble/dew points (no two-phase Rachford-Rice root) or a phase density cannot be obtained. Used to recover a two-phase state that the TPD stability test reported as single-phase (CoolProp-zgpy). More...

double	saturation_preconditioner (HelmholtzEOSMixtureBackend &HEOS, double input_value, sstype_enum input_type, const std::vector< CoolPropDbl > &z)

double	saturation_Wilson (HelmholtzEOSMixtureBackend &HEOS, double beta, double input_value, sstype_enum input_type, const std::vector< CoolPropDbl > &z, double guess)

Enumeration Type Documentation

◆ sstype_enum

enum CoolProp::SaturationSolvers::sstype_enum

Enumerator
imposed_T
imposed_p

Definition at line 46 of file VLERoutines.h.

Function Documentation

◆ guess_split_from_wilson()

bool CoolProp::SaturationSolvers::guess_split_from_wilson	(	HelmholtzEOSMixtureBackend &	HEOS,
		std::vector< CoolPropDbl > &	x,
		std::vector< CoolPropDbl > &	y,
		CoolPropDbl &	rhomolar_liq,
		CoolPropDbl &	rhomolar_vap,
		const std::vector< CoolPropDbl > &	z,
		CoolPropDbl	T,
		CoolPropDbl	p,
		int	num_steps,
		bool	require_bracket = `true`
	)

Seed a two-phase guess (x, y, rhomolar_liq, rhomolar_vap) from the ideal (Wilson) K-factor estimate at fixed (T, p) and refine it by successive substitution. The liquid phase is seeded at the incipient (heavy-rich) composition rather than the feed, so the split does not collapse to the trivial solution near the dew point. Returns false when the Wilson estimate places the feed outside its bubble/dew points (no two-phase Rachford-Rice root) or a phase density cannot be obtained. Used to recover a two-phase state that the TPD stability test reported as single-phase (CoolProp-zgpy).

Definition at line 1893 of file VLERoutines.cpp.

◆ saturation_critical()

void CoolProp::SaturationSolvers::saturation_critical	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolProp::parameters	ykey,
		CoolPropDbl	y
	)

Definition at line 15 of file VLERoutines.cpp.

◆ saturation_D_pure()

void CoolProp::SaturationSolvers::saturation_D_pure	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	rhomolar,
		saturation_D_pure_options &	options
	)

Definition at line 603 of file VLERoutines.cpp.

◆ saturation_P_pure_1D_T()

void CoolProp::SaturationSolvers::saturation_P_pure_1D_T	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	p,
		saturation_PHSU_pure_options &	options
	)

Definition at line 125 of file VLERoutines.cpp.

◆ saturation_PHSU_pure()

void CoolProp::SaturationSolvers::saturation_PHSU_pure	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	specified_value,
		saturation_PHSU_pure_options &	options
	)

Definition at line 166 of file VLERoutines.cpp.

◆ saturation_preconditioner()

double CoolProp::SaturationSolvers::saturation_preconditioner	(	HelmholtzEOSMixtureBackend &	HEOS,
		double	input_value,
		sstype_enum	input_type,
		const std::vector< CoolPropDbl > &	z
	)

inline

Definition at line 229 of file VLERoutines.h.

◆ saturation_T_pure()

void CoolProp::SaturationSolvers::saturation_T_pure	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	T,
		saturation_T_pure_options &	options
	)

Definition at line 756 of file VLERoutines.cpp.

◆ saturation_T_pure_1D_P()

void CoolProp::SaturationSolvers::saturation_T_pure_1D_P	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	T,
		saturation_T_pure_options &	options
	)

Definition at line 80 of file VLERoutines.cpp.

◆ saturation_T_pure_Akasaka()

void CoolProp::SaturationSolvers::saturation_T_pure_Akasaka	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	T,
		saturation_T_pure_Akasaka_options &	options
	)

Definition at line 778 of file VLERoutines.cpp.

◆ saturation_T_pure_Maxwell()

void CoolProp::SaturationSolvers::saturation_T_pure_Maxwell	(	HelmholtzEOSMixtureBackend &	HEOS,
		CoolPropDbl	T,
		saturation_T_pure_Akasaka_options &	options
	)

Definition at line 933 of file VLERoutines.cpp.

◆ saturation_Wilson()

double CoolProp::SaturationSolvers::saturation_Wilson	(	HelmholtzEOSMixtureBackend &	HEOS,
		double	beta,
		double	input_value,
		sstype_enum	input_type,
		const std::vector< CoolPropDbl > &	z,
		double	guess
	)

inline

Wilson gives the K-factor as

\[ \ln K_i = \ln\left(\frac{p_{c,i}}{p}\right)+5.373(1+\omega_i)\left(1-\frac{T_{c,i}}{T}\right) \]

From Rachford-Rice:

\[ \sum_i \frac{x_i(K_i-1)}{1 - \beta + \beta K_i} = 0 \]

When \(T\) is known for \(\beta=0\), \(p\) can be obtained from

\[ -1+\sum_i K_ix_i=0, \]

or

\[ p = \sum_i x_ip_{c,i}\exp(5.373(1+\omega_i)(1-T_{c,i}/T). \]

Or when \(T\) is known for \(\beta=1\), \(p\)can be obtained from

\[ -1+\sum_ix_i=0, \]

or

\[ p = \left[ \sum_i \frac{y_i}{p_{c,i}\exp(5.373(1+\omega_i)(1-T_{c,i}/T)} \right]^{-1} \]

Definition at line 283 of file VLERoutines.h.

◆ successive_substitution()

void CoolProp::SaturationSolvers::successive_substitution	(	HelmholtzEOSMixtureBackend &	HEOS,
		const CoolPropDbl	beta,
		CoolPropDbl	T,
		CoolPropDbl	p,
		const std::vector< CoolPropDbl > &	z,
		std::vector< CoolPropDbl > &	K,
		mixture_VLE_IO &	options
	)

Definition at line 1138 of file VLERoutines.cpp.

◆ successive_substitution_guessrho()

void CoolProp::SaturationSolvers::successive_substitution_guessrho	(	HelmholtzEOSMixtureBackend &	HEOS,
		std::vector< CoolPropDbl > &	x,
		std::vector< CoolPropDbl > &	y,
		CoolPropDbl &	rhomolar_liq,
		CoolPropDbl &	rhomolar_vap,
		const std::vector< CoolPropDbl > &	z,
		int	num_steps,
		double	tol = `1e-6`
	)

Refine a two-phase guess (x, y, rhomolar_liq, rhomolar_vap) in place by successive substitution at fixed (T, p): re-solve each phase density near its current guess, recompute the K-factors from the fugacity-coefficient ratio, and re-split via Rachford-Rice. Stops early when max |Δln K| across components falls below tol. Used to seed the second-order (Michelsen) PT phase-split solver from a cheap estimate. (Adapted from jakobreichert's PR #2720.)

Parameters

num_steps	Maximum number of successive-substitution steps
tol	Early-exit tolerance on max \|Δln K\|

Definition at line 1830 of file VLERoutines.cpp.

◆ x_and_y_from_K()

void CoolProp::SaturationSolvers::x_and_y_from_K	(	CoolPropDbl	beta,
		const std::vector< CoolPropDbl > &	K,
		const std::vector< CoolPropDbl > &	z,
		std::vector< CoolPropDbl > &	x,
		std::vector< CoolPropDbl > &	y
	)

Extract the mole fractions of liquid (x) and vapor (y) given the bulk composition (z), vapor mole fraction and K-factors.