teqp 0.22.0
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pcsaft.hpp File Reference
#include "nlohmann/json.hpp"
#include "teqp/types.hpp"
#include "teqp/exceptions.hpp"
#include "teqp/constants.hpp"
#include "teqp/json_tools.hpp"
#include "teqp/models/saft/pcsaftpure.hpp"
#include "teqp/models/saft/polar_terms/GrossVrabec.hpp"
#include <optional>

Go to the source code of this file.

Classes

struct  teqp::saft::pcsaft::SAFTCoeffs
 Coefficients for one fluid. More...
 
class  teqp::saft::pcsaft::PCSAFTLibrary
 Manager class for PCSAFT coefficients. More...
 
class  teqp::saft::pcsaft::PCSAFTHardChainContribution
 
class  teqp::saft::pcsaft::PCSAFTMixture
 

Namespaces

namespace  teqp
 
namespace  teqp::saft
 
namespace  teqp::saft::PCSAFT
 
namespace  teqp::saft::PCSAFT::PCSAFTMatrices
 
namespace  teqp::saft::PCSAFT::PCSAFTMatrices::GrossSadowski2001
 
namespace  teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2012
 
namespace  teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2014
 
namespace  teqp::saft::pcsaft
 
namespace  teqp::PCSAFT
 

Functions

template<typename Eta , typename Mbar >
auto teqp::saft::pcsaft::C1 (const Eta &eta, const Mbar &mbar)
 
template<typename Eta , typename Mbar >
auto teqp::saft::pcsaft::C2 (const Eta &eta, const Mbar &mbar)
 Eqn. A.31.
 
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)
 
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.
 
template<typename VecType1 , typename NType >
auto teqp::saft::pcsaft::powvec (const VecType1 &v1, NType n)
 
template<typename VecType1 , typename VecType2 , typename VecType3 >
auto teqp::saft::pcsaft::sumproduct (const VecType1 &v1, const VecType2 &v2, const VecType3 &v3)
 
auto teqp::saft::pcsaft::PCSAFTfactory (const nlohmann::json &spec)
 A JSON-based factory function for the PC-SAFT model.
 

Variables

const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::GrossSadowski2001::a
 
const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::GrossSadowski2001::b
 
const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2012::a
 
const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2012::b
 
const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2014::a
 
const Eigen::Array< double, 3, 7 > teqp::saft::PCSAFT::PCSAFTMatrices::LiangIECR2014::b