teqp::saft::pcsaft Namespace Reference

Classes
class	PCSAFTHardChainContribution
class	PCSAFTLibrary
	Manager class for PCSAFT coefficients. More...
class	PCSAFTMixture
struct	SAFTCoeffs
	Coefficients for one fluid. More...

Functions
template<typename Eta , typename Mbar >
auto	C1 (const Eta &eta, const Mbar &mbar)
template<typename Eta , typename Mbar >
auto	C2 (const Eta &eta, const Mbar &mbar)
	Eqn. A.31.
template<typename VecType , typename VecType2 >
auto	get_alphar_hs (const VecType &zeta, const VecType2 &D)
	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 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::saft::pcsaft::C1	(	const Eta &	eta,
		const Mbar &	mbar )

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

Definition at line 88 of file pcsaft.hpp.

C2()

template<typename Eta , typename Mbar >

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

Eqn. A.31.

Definition at line 96 of file pcsaft.hpp.

get_alphar_hs()

template<typename VecType , typename VecType2 >

auto teqp::saft::pcsaft::get_alphar_hs	(	const VecType &	zeta,
		const VecType2 &	D )

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

Definition at line 105 of file pcsaft.hpp.

gij_HS()

template<typename zVecType , typename dVecType >

auto teqp::saft::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 151 of file pcsaft.hpp.

PCSAFTfactory()

auto teqp::saft::pcsaft::PCSAFTfactory ( const nlohmann::json & spec )

inline

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

Definition at line 455 of file pcsaft.hpp.

powvec()

template<typename VecType1 , typename NType >

auto teqp::saft::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 167 of file pcsaft.hpp.

sumproduct()

template<typename VecType1 , typename VecType2 , typename VecType3 >

auto teqp::saft::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 179 of file pcsaft.hpp.