teqp::VLLE Namespace Reference

Classes
struct	SelfIntersectionSolution
struct	VLLEFinderOptions
struct	VLLETracerOptions

Enumerations
enum class	VLLE_return_code { unset , xtol_satisfied , functol_satisfied , maxiter_met }

Functions
auto	mix_VLLE_T (const AbstractModel &model, double T, const EArrayd &rhovecVinit, const EArrayd &rhovecL1init, const EArrayd &rhovecL2init, double atol, double reltol, double axtol, double relxtol, int maxiter)
auto	mix_VLLE_p (const AbstractModel &model, double p, double Tinit, const EArrayd &rhovecVinit, const EArrayd &rhovecL1init, const EArrayd &rhovecL2init, double atol, double reltol, double axtol, double relxtol, int maxiter)
template<typename Iterable >
auto	get_self_intersections (Iterable &x, Iterable &y)
template<typename Iterable >
auto	get_cross_intersections (Iterable &x1, Iterable &y1, Iterable &x2, Iterable &y2)
auto	find_VLLE_gen_binary (const AbstractModel &model, const std::vector< nlohmann::json > &traces, const std::string &key, const std::optional< VLLEFinderOptions > options=std::nullopt)
auto	find_VLLE_T_binary (const AbstractModel &model, const std::vector< nlohmann::json > &traces, const std::optional< VLLEFinderOptions > &options=std::nullopt)
	Given an isothermal VLE trace(s) for a binary mixture, obtain the VLLE solution.
auto	find_VLLE_p_binary (const AbstractModel &model, const std::vector< nlohmann::json > &traces, const std::optional< VLLEFinderOptions > &options=std::nullopt)
	Given an isobaric VLE trace(s) for a binary mixture, obtain the VLLE solution.
auto	get_drhovecdT_VLLE_binary (const AbstractModel &model, double T, const EArrayd &rhovecV, const EArrayd &rhovecL1, const EArrayd &rhovecL2)
auto	trace_VLLE_binary (const teqp::VLLE::AbstractModel &model, const double Tinit, const EArrayd &rhovecVinit, const EArrayd &rhovecL1init, const EArrayd &rhovecL2init, const std::optional< VLLETracerOptions > &options_=std::nullopt)
	Given an initial VLLE solution, trace the VLLE curve. We know the VLLE curve is a function of only one state variable by Gibbs' rule.

Enumeration Type Documentation

VLLE_return_code

enum class teqp::VLLE::VLLE_return_code

strong

Enumerator
unset
xtol_satisfied
functol_satisfied
maxiter_met

Definition at line 6 of file VLLE_types.hpp.

Function Documentation

find_VLLE_gen_binary()

auto teqp::VLLE::find_VLLE_gen_binary ( const AbstractModel & model, const std::vector< nlohmann::json > & traces, const std::string & key, const std::optional< VLLEFinderOptions > options = std::nullopt )

inline

Definition at line 300 of file VLLE.hpp.

find_VLLE_p_binary()

auto teqp::VLLE::find_VLLE_p_binary ( const AbstractModel & model, const std::vector< nlohmann::json > & traces, const std::optional< VLLEFinderOptions > & options = std::nullopt )

inline

Given an isobaric VLE trace(s) for a binary mixture, obtain the VLLE solution.

Parameters

model	The Model to be used for the thermodynamics
traces	The nlohmann::json formatted information from the traces, perhaps obtained from trace_VLE_isobar_binary

Definition at line 477 of file VLLE.hpp.

find_VLLE_T_binary()

auto teqp::VLLE::find_VLLE_T_binary ( const AbstractModel & model, const std::vector< nlohmann::json > & traces, const std::optional< VLLEFinderOptions > & options = std::nullopt )

inline

Given an isothermal VLE trace(s) for a binary mixture, obtain the VLLE solution.

Parameters

model	The Model to be used for the thermodynamics
traces	The nlohmann::json formatted information from the traces, perhaps obtained from trace_VLE_isotherm_binary

Definition at line 468 of file VLLE.hpp.

get_cross_intersections()

template<typename Iterable >

auto teqp::VLLE::get_cross_intersections ( Iterable & x1, Iterable & y1, Iterable & x2, Iterable & y2 )

inline

Definition at line 277 of file VLLE.hpp.

get_drhovecdT_VLLE_binary()

auto teqp::VLLE::get_drhovecdT_VLLE_binary ( const AbstractModel & model, double T, const EArrayd & rhovecV, const EArrayd & rhovecL1, const EArrayd & rhovecL2 )

inline

Definition at line 481 of file VLLE.hpp.

get_self_intersections()

template<typename Iterable >

auto teqp::VLLE::get_self_intersections ( Iterable & x, Iterable & y )

inline

Derived from https://stackoverflow.com/a/17931809

Definition at line 255 of file VLLE.hpp.

mix_VLLE_p()

auto teqp::VLLE::mix_VLLE_p ( const AbstractModel & model, double p, double Tinit, const EArrayd & rhovecVinit, const EArrayd & rhovecL1init, const EArrayd & rhovecL2init, double atol, double reltol, double axtol, double relxtol, int maxiter )

inline

Definition at line 134 of file VLLE.hpp.

mix_VLLE_T()

auto teqp::VLLE::mix_VLLE_T ( const AbstractModel & model, double T, const EArrayd & rhovecVinit, const EArrayd & rhovecL1init, const EArrayd & rhovecL2init, double atol, double reltol, double axtol, double relxtol, int maxiter )

inline

Definition at line 30 of file VLLE.hpp.

trace_VLLE_binary()

auto teqp::VLLE::trace_VLLE_binary ( const teqp::VLLE::AbstractModel & model, const double Tinit, const EArrayd & rhovecVinit, const EArrayd & rhovecL1init, const EArrayd & rhovecL2init, const std::optional< VLLETracerOptions > & options_ = std::nullopt )

inline

Given an initial VLLE solution, trace the VLLE curve. We know the VLLE curve is a function of only one state variable by Gibbs' rule.

Definition at line 519 of file VLLE.hpp.