Based on the original Rocket Workbench on SourceForge in CVS at:
https://sourceforge.net/projects/rocketworkbench
You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
156 lines
5.1 KiB
156 lines
5.1 KiB
#ifndef equilibrium_h
|
|
#define equilibrium_h
|
|
/* equilibrium.h - Calculation of Complex Chemical Equilibrium */
|
|
/* $Id: equilibrium.h,v 1.1.1.1 2001/07/20 03:19:06 antoine Exp $ */
|
|
/* Copyright (C) 2000 */
|
|
/* Antoine Lefebvre <antoine.lefebvre@polymtl.ca> */
|
|
/* Mark Pinese <pinese@cyberwizards.com.au> */
|
|
/* */
|
|
/* Licensed under the GPLv2 */
|
|
|
|
#include "libcompat/include/compat.h"
|
|
#include "type.h"
|
|
|
|
#define GRAM_TO_MOL(g, sp) g/propellant_molar_mass(sp)
|
|
|
|
#define _min(a, b, c) __min( __min(a, b), c)
|
|
#define _max(a, b, c) __max( __max(a, b), c)
|
|
|
|
extern int global_verbose;
|
|
|
|
|
|
/***************************************************************
|
|
FUNCTION PROTOTYPE SECTION
|
|
****************************************************************/
|
|
|
|
int set_verbose(equilibrium_t *e, int v);
|
|
|
|
/************************************************************
|
|
FUNCTION: This function search for all elements present in
|
|
the composition and fill the list with the
|
|
corresponding number.
|
|
|
|
PARAMETER: e is of type equilibrium_t and hold the information
|
|
about the propellant composition.
|
|
|
|
COMMENTS: It fill the member element in equilibrium_t
|
|
|
|
DATE: February 6, 2000
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
**************************************************************/
|
|
int list_element(equilibrium_t *e);
|
|
int reset_element_list(equilibrium_t *e);
|
|
|
|
int list_product(equilibrium_t *e);
|
|
|
|
/***************************************************************
|
|
FUNCTION: This function initialize the equilibrium structure.
|
|
The function allocate memory for all the structure
|
|
it need. It is important to call dealloc_equilibrium
|
|
after.
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
|
|
DATE: February 27, 2000
|
|
****************************************************************/
|
|
int initialize_equilibrium(equilibrium_t *e);
|
|
|
|
|
|
/***************************************************************
|
|
FUNCTION: Dealloc what have been allocated by
|
|
initialize_equilibrium
|
|
***************************************************************/
|
|
int dealloc_equilibrium(equilibrium_t *e);
|
|
|
|
int reset_equilibrium(equilibrium_t *e);
|
|
|
|
int copy_equilibrium(equilibrium_t *dest, equilibrium_t *src);
|
|
|
|
int compute_thermo_properties(equilibrium_t *e);
|
|
|
|
/***************************************************************
|
|
FUNCTION: Set the state at which we want to compute the
|
|
equilibrium.
|
|
|
|
PARAMETER: e is a pointer to an equilibrium_t structure
|
|
T is the temperature in deg K
|
|
P is the pressure in atm
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
****************************************************************/
|
|
int set_state(equilibrium_t *e, double T, double P);
|
|
|
|
|
|
/***************************************************************
|
|
FUNCTION: Add a new molecule in the propellant
|
|
|
|
PARAMETER: e is a pointer to the equilibrium_t structure
|
|
sp is the number of the molecule in the list
|
|
mol is the quantity in mol
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
****************************************************************/
|
|
int add_in_propellant(equilibrium_t *e, int sp, double mol);
|
|
|
|
/***************************************************************
|
|
FUNCTION: Return the stochiometric coefficient of an element
|
|
in a molecule. If the element isn't present, it return 0.
|
|
|
|
COMMENTS: There is a different function for the product and for the
|
|
propellant.
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
****************************************************************/
|
|
int product_element_coef(int element, int molecule);
|
|
/*int propellant_element_coef(int element, int molecule);*/
|
|
|
|
|
|
|
|
/***************************************************************
|
|
FUNCTION: This function fill the matrix in function of the data
|
|
store in the structure equilibrium_t. The solution
|
|
of this matrix give corresction to initial estimate.
|
|
|
|
COMMENTS: It use the theory explain in
|
|
"Computer Program for Calculation of Complex Chemical
|
|
Equilibrium Compositions, Rocket Performance, Incident
|
|
and Reflected Shocks, and Chapman-Jouguet Detonations"
|
|
by Gordon and McBride
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
****************************************************************/
|
|
|
|
|
|
/*#ifdef TRUE_ARRAY*/
|
|
/*int fill_equilibrium_matrix(double *matrix, equilibrium_t *e, problem_t P);*/
|
|
int fill_matrix(double *matrix, equilibrium_t *e, problem_t P);
|
|
/*#else*/
|
|
/*int fill_equilibrium_matrix(double **matrix, equilibrium_t *e, problem_t P);*/
|
|
/*int fill_matrix(double **matrix, equilibrium_t *e, problem_t P);*/
|
|
/*#endif*/
|
|
|
|
|
|
/****************************************************************
|
|
FUNCTION: This function compute the equilibrium composition at
|
|
at specific pressure/temperature point. It use fill_matrix
|
|
to obtain correction to initial estimate. It correct the
|
|
value until equilibrium is obtain.
|
|
|
|
AUTHOR: Antoine Lefebvre
|
|
******************************************************************/
|
|
int equilibrium(equilibrium_t *equil, problem_t P);
|
|
|
|
|
|
double product_molar_mass(equilibrium_t *e);
|
|
|
|
#endif
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|