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- #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
-
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