CPA.hpp File Reference

#include <optional>
#include <variant>
#include "nlohmann/json.hpp"
#include <Eigen/Dense>
#include "teqp/types.hpp"
#include "teqp/exceptions.hpp"
#include "teqp/models/association/association.hpp"
#include "teqp/models/association/association_types.hpp"

Go to the source code of this file.

Classes
class	teqp::CPA::CPACubic
class	teqp::CPA::CPAAssociation
class	teqp::CPA::CPAEOS< Cubic, Assoc >
struct	teqp::CPA::AssociationVariantWrapper

Namespaces
namespace	teqp
namespace	teqp::CPA

Typedefs
using	teqp::CPA::radial_dist = association::radial_dists

Enumerations
enum class	teqp::CPA::cubic_flag { teqp::CPA::not_set , teqp::CPA::PR , teqp::CPA::SRK }

Functions
template<typename X >
auto	teqp::CPA::POW2 (X x)
template<typename X >
auto	teqp::CPA::POW3 (X x)
template<typename BType , typename TType , typename RhoType , typename VecType >
auto	teqp::CPA::get_DeltaAB_pure (radial_dist dist, double epsABi, double betaABi, BType b_cubic, TType RT, RhoType rhomolar, const VecType &)
	Function that calculates the association binding strength between site A of molecule i and site B on molecule j.
template<typename BType , typename TType , typename RhoType , typename VecType >
auto	teqp::CPA::XA_calc_pure (int N_sites, association_classes scheme, radial_dist dist, double epsABi, double betaABi, const BType b_cubic, const TType RT, const RhoType rhomolar, const VecType &molefrac)
auto	teqp::CPA::get_cubic_flag (const std::string &s)
auto	teqp::CPA::CPAfactory (const nlohmann::json &j)