157 lines
5.0 KiB
C
157 lines
5.0 KiB
C
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#ifndef equilibrium_h
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#define equilibrium_h
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/* equilibrium.h - Calculation of Complex Chemical Equilibrium */
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/* $Id: equilibrium.h,v 1.1 2000/10/13 19:24:31 antoine Exp $ */
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/* Copyright (C) 2000 */
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/* Antoine Lefebvre <antoine.lefebvre@polymtl.ca> */
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/* Mark Pinese <pinese@cyberwizards.com.au> */
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/* */
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/* Licensed under the GPLv2 */
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#include "compat.h"
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#include "type.h"
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#define GRAM_TO_MOL(g, sp) g/propellant_molar_mass(sp)
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#define _min(a, b, c) __min( __min(a, b), c)
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#define _max(a, b, c) __max( __max(a, b), c)
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extern int global_verbose;
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/***************************************************************
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FUNCTION PROTOTYPE SECTION
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****************************************************************/
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int set_verbose(equilibrium_t *e, int v);
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/************************************************************
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FUNCTION: This function search for all elements present in
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the composition and fill the list with the
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corresponding number.
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PARAMETER: e is of type equilibrium_t and hold the information
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about the propellant composition.
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COMMENTS: It fill the member element in equilibrium_t
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DATE: February 6, 2000
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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int list_element(equilibrium_t *e);
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int reset_element_list(equilibrium_t *e);
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int list_product(equilibrium_t *e);
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/***************************************************************
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FUNCTION: This function initialize the equilibrium structure.
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The function allocate memory for all the structure
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it need. It is important to call dealloc_equilibrium
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after.
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AUTHOR: Antoine Lefebvre
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DATE: February 27, 2000
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****************************************************************/
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int initialize_equilibrium(equilibrium_t *e);
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/***************************************************************
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FUNCTION: Dealloc what have been allocated by
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initialize_equilibrium
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***************************************************************/
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int dealloc_equilibrium(equilibrium_t *e);
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int reset_equilibrium(equilibrium_t *e);
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int copy_equilibrium(equilibrium_t *dest, equilibrium_t *src);
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int compute_thermo_properties(equilibrium_t *e);
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/***************************************************************
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FUNCTION: Set the state at which we want to compute the
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equilibrium.
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PARAMETER: e is a pointer to an equilibrium_t structure
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T is the temperature in deg K
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P is the pressure in atm
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AUTHOR: Antoine Lefebvre
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****************************************************************/
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int set_state(equilibrium_t *e, double T, double P);
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/***************************************************************
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FUNCTION: Add a new molecule in the propellant
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PARAMETER: e is a pointer to the equilibrium_t structure
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sp is the number of the molecule in the list
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mol is the quantity in mol
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AUTHOR: Antoine Lefebvre
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****************************************************************/
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int add_in_propellant(equilibrium_t *e, int sp, double mol);
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/***************************************************************
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FUNCTION: Return the stochiometric coefficient of an element
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in a molecule. If the element isn't present, it return 0.
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COMMENTS: There is a different function for the product and for the
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propellant.
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AUTHOR: Antoine Lefebvre
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****************************************************************/
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int product_element_coef(int element, int molecule);
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//int propellant_element_coef(int element, int molecule);
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/***************************************************************
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FUNCTION: This function fill the matrix in function of the data
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store in the structure equilibrium_t. The solution
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of this matrix give corresction to initial estimate.
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COMMENTS: It use the theory explain in
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"Computer Program for Calculation of Complex Chemical
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Equilibrium Compositions, Rocket Performance, Incident
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and Reflected Shocks, and Chapman-Jouguet Detonations"
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by Gordon and McBride
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AUTHOR: Antoine Lefebvre
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****************************************************************/
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//#ifdef TRUE_ARRAY
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//int fill_equilibrium_matrix(double *matrix, equilibrium_t *e, problem_t P);
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int fill_matrix(double *matrix, equilibrium_t *e, problem_t P);
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//#else
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//int fill_equilibrium_matrix(double **matrix, equilibrium_t *e, problem_t P);
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//int fill_matrix(double **matrix, equilibrium_t *e, problem_t P);
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//#endif
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/****************************************************************
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FUNCTION: This function compute the equilibrium composition at
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at specific pressure/temperature point. It use fill_matrix
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to obtain correction to initial estimate. It correct the
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value until equilibrium is obtain.
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AUTHOR: Antoine Lefebvre
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******************************************************************/
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int equilibrium(equilibrium_t *equil, problem_t P);
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double product_molar_mass(equilibrium_t *e);
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#endif
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