teqp::saft::pcsaft::PCSAFTHardChainContribution Class Reference

#include <pcsaft.hpp>

Public Member Functions
	PCSAFTHardChainContribution (const Eigen::ArrayX< double > &m, const Eigen::ArrayX< double > &mminus1, const Eigen::ArrayX< double > &sigma_Angstrom, const Eigen::ArrayX< double > &epsilon_over_k, const Eigen::ArrayXXd &kmat, const Eigen::Array< double, 3, 7 > &a, const Eigen::Array< double, 3, 7 > &b)
PCSAFTHardChainContribution &	operator= (const PCSAFTHardChainContribution &)=delete
template<typename TTYPE , typename RhoType , typename VecType >
auto	eval (const TTYPE &T, const RhoType &rhomolar, const VecType &mole_fractions) const

Protected Attributes
const Eigen::ArrayX< double >	m
	number of segments
const Eigen::ArrayX< double >	mminus1
	m-1
const Eigen::ArrayX< double >	sigma_Angstrom
const Eigen::ArrayX< double >	epsilon_over_k
	depth of pair potential divided by Boltzman constant
const Eigen::ArrayXXd	kmat
	binary interaction parameter matrix
Eigen::Array< double, 3, 7 >	a
	The universal constants used in Eqn. A.18 of G&S.
Eigen::Array< double, 3, 7 >	b
	The universal constants used in Eqn. A.19 of G&S.

Detailed Description

Definition at line 187 of file pcsaft.hpp.

Constructor & Destructor Documentation

PCSAFTHardChainContribution()

teqp::saft::pcsaft::PCSAFTHardChainContribution::PCSAFTHardChainContribution ( const Eigen::ArrayX< double > & m, const Eigen::ArrayX< double > & mminus1, const Eigen::ArrayX< double > & sigma_Angstrom, const Eigen::ArrayX< double > & epsilon_over_k, const Eigen::ArrayXXd & kmat, const Eigen::Array< double, 3, 7 > & a, const Eigen::Array< double, 3, 7 > & b )

inline

Definition at line 199 of file pcsaft.hpp.

Member Function Documentation

eval()

template<typename TTYPE , typename RhoType , typename VecType >

auto teqp::saft::pcsaft::PCSAFTHardChainContribution::eval ( const TTYPE & T, const RhoType & rhomolar, const VecType & mole_fractions ) const

inline

Convert from molar density to number density in molecules/Angstrom^3

Evaluate the components of zeta

Packing fraction is the 4-th value in zeta, at index 3

Definition at line 205 of file pcsaft.hpp.

operator=()

PCSAFTHardChainContribution & teqp::saft::pcsaft::PCSAFTHardChainContribution::operator= ( const PCSAFTHardChainContribution & )

delete

Member Data Documentation

a

Eigen::Array<double, 3, 7> teqp::saft::pcsaft::PCSAFTHardChainContribution::a

protected

The universal constants used in Eqn. A.18 of G&S.

Definition at line 195 of file pcsaft.hpp.

b

Eigen::Array<double, 3, 7> teqp::saft::pcsaft::PCSAFTHardChainContribution::b

protected

The universal constants used in Eqn. A.19 of G&S.

Definition at line 196 of file pcsaft.hpp.

epsilon_over_k

const Eigen::ArrayX<double> teqp::saft::pcsaft::PCSAFTHardChainContribution::epsilon_over_k

protected

depth of pair potential divided by Boltzman constant

Definition at line 193 of file pcsaft.hpp.

kmat

const Eigen::ArrayXXd teqp::saft::pcsaft::PCSAFTHardChainContribution::kmat

protected

binary interaction parameter matrix

Definition at line 194 of file pcsaft.hpp.

m

const Eigen::ArrayX<double> teqp::saft::pcsaft::PCSAFTHardChainContribution::m

protected

number of segments

Definition at line 190 of file pcsaft.hpp.

mminus1

const Eigen::ArrayX<double> teqp::saft::pcsaft::PCSAFTHardChainContribution::mminus1

protected

m-1

Definition at line 191 of file pcsaft.hpp.

sigma_Angstrom

const Eigen::ArrayX<double> teqp::saft::pcsaft::PCSAFTHardChainContribution::sigma_Angstrom

protected

Definition at line 192 of file pcsaft.hpp.

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

• include/teqp/models/pcsaft.hpp