starting_values Module Reference

WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW Module STARTING_VALUES This module contains parameters and variables for a phase stability analyis as part of a flash calculation. WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW. More...

Functions/Subroutines
subroutine, public	start_var (converg)
	subroutine start_var More...
subroutine, public	scan_compositions (converg)
subroutine	calculate_equilibrium_feed (rhoi1, rhoi2, converg)
subroutine, public	start_var_fixed_composition (converg)
subroutine, public	tangent_plane_line_search (rhoi1, rhoi2, phi_2_opt, promising_min)
subroutine	tangent_value (fmin, optpara, n)
subroutine	tangent_grad (g, optpara, n)
subroutine	tangent_hessian (hessian, gtrans, optpara, n)
subroutine	tangent_plane_2 (phi_2_start, rhoi1, rhoi2)
subroutine	tangent_plane (phi_2_start, rhoi1, rhoi2)
subroutine	helmholtz_flash_grads (n, x_in, f_tpd, grad, hessian, diagonal)
subroutine, public	phase_stability (rhoi_feed, eta_trial, ph_split, rhoi_trial)
subroutine	f_stability (f_tpd, optpara, n)
subroutine	stability_grad (g, optpara, n)
subroutine, public	stability_hessian (hessian, gtrans, fmin, optpara, n)
subroutine, public	vle_min
subroutine, public	rachford_rice (converg, rhoi1, rhoi2)
subroutine, public	bubble_point_rachford_rice (iterate_t, converg, rhoi1, rhoi2)
subroutine	t_x_rachford_rice (x12, converg, rhoi1, rhoi2)
subroutine, public	occupy_val_init (rhoi1, rhoi2)
subroutine	read_mode_staring_value (scan_index, outp)
subroutine	output_rho_info (rhoi)

Variables
real, dimension(nc)	rhoif
real, dimension(nc)	rhoi1
real, dimension(nc)	rhoi2
real, dimension(nc)	grad_fd
real	fdenf
integer	scan_index
real, dimension(nc), public	rhoi_trial
logical	first_call = .true.
logical, public	generate_starting_val
logical, public	flashcase
real, dimension(nc)	rhoi_best
real	fmin_best

Detailed Description

WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW Module STARTING_VALUES This module contains parameters and variables for a phase stability analyis as part of a flash calculation. WWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWWW.

Function/Subroutine Documentation

start_var()

subroutine, public starting_values::start_var

(

integer, intent(inout)

converg

)

subroutine start_var

This subroutine generates a converged solution for binary systems or performes a flash calculation for mixtues.

IF a polymer is considered, starting values for mole fractions are determined from the SUBROUTINGE POLY_STA_VAR (see below). The polymer needs to be placed as component 1 (first line) in INPUT file.

A phase equilib. iteration is started at the end of this routine. If no solution is found (converg=0), the program will stop within this routine.

Currently, this routine assumes two-phase equilibrium and derives starting values (xi,density) only for two phases.

Prerequisites are: subroutine INPUT needs to be called prior to this routine, because all pure comp. parameters as well as (T,P,kij) need to be in place. Also, the variable to be iterated "it(i)" and the variables to be calculated through the summation relation "sum_rel(i)" have to be defined.

Definition at line 65 of file starting_value.f90.

Referenced by pc_saft().