NewtonRaphsonVLE Class Reference

#include <Mixtures.h>

Public Member Functions
	NewtonRaphsonVLE ()
void	resize (unsigned int N)
void	pre_call ()
double	call (double beta, double T, double p, double rhobar_liq, double rhobar_vap, const std::vector< double > &z, std::vector< double > &K, int spec_index, double spec_value)
void	build_arrays (double beta, double T, double p, const std::vector< double > &z, std::vector< double > &K, int spec_index, double spec_value)

Public Attributes
double	error_rms
double	rhobar_liq
double	rhobar_vap
double	T
double	p
unsigned int	N
bool	logging
int	Nsteps
int	Nsteps_max
Mixture *	Mix
STLMatrix	J
std::vector< double >	K
std::vector< double >	x
std::vector< double >	y
std::vector< double >	phi_ij_liq
std::vector< double >	phi_ij_vap
std::vector< double >	r
std::vector< double >	dXdS
std::vector< double >	neg_dFdS
std::vector < SuccessiveSubstitutionStep >	step_logger

Detailed Description

A class to do newton raphson solver for VLE given guess values for vapor-liquid equilibria. This class will then be included in the Mixture class

A class is used rather than a function so that it is easier to store iteration histories, additional output values, etc.

Definition at line 331 of file Mixtures.h.

Constructor & Destructor Documentation

NewtonRaphsonVLE::NewtonRaphsonVLE ( )

inline

Definition at line 344 of file Mixtures.h.

Member Function Documentation

void NewtonRaphsonVLE::build_arrays	(	double	beta,
		double	T,
		double	p,
		const std::vector< double > &	z,
		std::vector< double > &	K,
		int	spec_index,
		double	spec_value
	)

Build the arrays for the Newton-Raphson solve

This method builds the Jacobian matrix, the sensitivity matrix, etc.

Parameters

beta	Void fraction [-] (0: bubble, 1: dew)
T	Temperature [K]
p	Pressure [Pa]
z	Bulk mole fractions [-]
K	Array of K-factors [-]

Definition at line 2485 of file Mixtures.cpp.

double NewtonRaphsonVLE::call	(	double	beta,
		double	T,
		double	p,
		double	rhobar_liq,
		double	rhobar_vap,
		const std::vector< double > &	z,
		std::vector< double > &	K,
		int	spec_index,
		double	spec_value
	)

Call the Newton-Raphson VLE Solver

This solver must be passed reasonable guess values for the mole fractions, densities, etc. You may want to take a few steps of successive substitution before you start with Newton Raphson.

Parameters

T	Temperature [K]
p	Pressure [Pa]
rhobar_liq	Current value of molar density of the liquid [mol/m^3]
rhobar_vap	Current value of molar density of the vapor [mol/m^3]
z	Bulk mole fractions [-]
K	Array of K-factors [-]

Definition at line 2424 of file Mixtures.cpp.

void NewtonRaphsonVLE::pre_call ( )

inline

Definition at line 349 of file Mixtures.h.

void NewtonRaphsonVLE::resize

(

unsigned int

N

)

Definition at line 2405 of file Mixtures.cpp.

Member Data Documentation

std::vector<double> NewtonRaphsonVLE::dXdS

Definition at line 341 of file Mixtures.h.

double NewtonRaphsonVLE::error_rms

Definition at line 334 of file Mixtures.h.

STLMatrix NewtonRaphsonVLE::J

Definition at line 340 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::K

Definition at line 341 of file Mixtures.h.

bool NewtonRaphsonVLE::logging

Definition at line 336 of file Mixtures.h.

Mixture* NewtonRaphsonVLE::Mix

Definition at line 339 of file Mixtures.h.

unsigned int NewtonRaphsonVLE::N

Definition at line 335 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::neg_dFdS

Definition at line 341 of file Mixtures.h.

int NewtonRaphsonVLE::Nsteps

Definition at line 337 of file Mixtures.h.

int NewtonRaphsonVLE::Nsteps_max

Definition at line 338 of file Mixtures.h.

double NewtonRaphsonVLE::p

Definition at line 334 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::phi_ij_liq

Definition at line 341 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::phi_ij_vap

Definition at line 341 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::r

Definition at line 341 of file Mixtures.h.

double NewtonRaphsonVLE::rhobar_liq

Definition at line 334 of file Mixtures.h.

double NewtonRaphsonVLE::rhobar_vap

Definition at line 334 of file Mixtures.h.

std::vector<SuccessiveSubstitutionStep> NewtonRaphsonVLE::step_logger

Definition at line 342 of file Mixtures.h.

double NewtonRaphsonVLE::T

Definition at line 334 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::x

Definition at line 341 of file Mixtures.h.

std::vector<double> NewtonRaphsonVLE::y

Definition at line 341 of file Mixtures.h.

---

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

• CoolProp/Mixtures.h
• CoolProp/Mixtures.cpp