Classes
class	PCSAFTHardChainContribution

class	PCSAFTLibrary
	Manager class for PCSAFT coefficients. More...

class	PCSAFTMixture

class	SAFTCalc
	Parameters for model evaluation. More...

struct	SAFTCoeffs
	Coefficients for one fluid. More...

Functions
template<typename Eta , typename Mbar >
auto	C1 (const Eta &eta, Mbar mbar)

template<typename Eta , typename Mbar >
auto	C2 (const Eta &eta, Mbar mbar)
	Eqn. A.31.

template<typename TYPE >
auto	get_a (TYPE mbar)
	Eqn. A.18.

template<typename TYPE >
auto	get_b (TYPE mbar)
	Eqn. A.19.

template<typename VecType >
auto	get_alphar_hs (const VecType &zeta)
	Residual contribution to alphar from hard-sphere (Eqn. A.6)

template<typename zVecType , typename dVecType >
auto	gij_HS (const zVecType &zeta, const dVecType &d, std::size_t i, std::size_t j)
	Term from Eqn. A.7.

template<typename Eta , typename MbarType >
auto	get_I1 (const Eta &eta, MbarType mbar)
	Eqn. A.16, Eqn. A.29.

template<typename Eta , typename MbarType >
auto	get_I2 (const Eta &eta, MbarType mbar)
	Eqn. A.17, Eqn. A.30.

template<typename VecType1 , typename NType >
auto	powvec (const VecType1 &v1, NType n)

template<typename VecType1 , typename VecType2 , typename VecType3 >
auto	sumproduct (const VecType1 &v1, const VecType2 &v2, const VecType3 &v3)

auto	PCSAFTfactory (const nlohmann::json &spec)
	A JSON-based factory function for the PC-SAFT model.

Function Documentation

◆ C1()

template<typename Eta , typename Mbar >

auto teqp::PCSAFT::C1	(	const Eta &	eta,
		Mbar	mbar )

Eqn. A.11 Erratum: should actually be 1/RHS of equation A.11 according to sample FORTRAN code

Definition at line 73 of file pcsaft.hpp.

◆ C2()

template<typename Eta , typename Mbar >

auto teqp::PCSAFT::C2	(	const Eta &	eta,
		Mbar	mbar )

Eqn. A.31.

Definition at line 80 of file pcsaft.hpp.

◆ get_a()

template<typename TYPE >

auto teqp::PCSAFT::get_a ( TYPE mbar )

Eqn. A.18.

Definition at line 88 of file pcsaft.hpp.

◆ get_alphar_hs()

template<typename VecType >

auto teqp::PCSAFT::get_alphar_hs ( const VecType & zeta )

Residual contribution to alphar from hard-sphere (Eqn. A.6)

Definition at line 105 of file pcsaft.hpp.

◆ get_b()

template<typename TYPE >

auto teqp::PCSAFT::get_b ( TYPE mbar )

Eqn. A.19.

Definition at line 96 of file pcsaft.hpp.

◆ get_I1()

template<typename Eta , typename MbarType >

auto teqp::PCSAFT::get_I1	(	const Eta &	eta,
		MbarType	mbar )

Eqn. A.16, Eqn. A.29.

Definition at line 128 of file pcsaft.hpp.

◆ get_I2()

template<typename Eta , typename MbarType >

auto teqp::PCSAFT::get_I2	(	const Eta &	eta,
		MbarType	mbar )

Eqn. A.17, Eqn. A.30.

Definition at line 140 of file pcsaft.hpp.

◆ gij_HS()

template<typename zVecType , typename dVecType >

auto teqp::PCSAFT::gij_HS	(	const zVecType &	zeta,
		const dVecType &	d,
		std::size_t	i,
		std::size_t	j )

Term from Eqn. A.7.

Definition at line 120 of file pcsaft.hpp.

◆ PCSAFTfactory()

auto teqp::PCSAFT::PCSAFTfactory ( const nlohmann::json & spec )

inline

A JSON-based factory function for the PC-SAFT model.

Definition at line 426 of file pcsaft.hpp.

◆ powvec()

template<typename VecType1 , typename NType >

auto teqp::PCSAFT::powvec	(	const VecType1 &	v1,
		NType	n )

Sum up three array-like objects that can each have different container types and value types

Definition at line 155 of file pcsaft.hpp.

◆ sumproduct()

template<typename VecType1 , typename VecType2 , typename VecType3 >

auto teqp::PCSAFT::sumproduct	(	const VecType1 &	v1,
		const VecType2 &	v2,
		const VecType3 &	v3 )

Sum up the coefficient-wise product of three array-like objects that can each have different container types and value types

Definition at line 167 of file pcsaft.hpp.

Classes

Functions