Based on the original Rocket Workbench on SourceForge in CVS at:
https://sourceforge.net/projects/rocketworkbench
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218 lines
7.0 KiB
218 lines
7.0 KiB
#ifndef thermo_h
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#define thermo_h
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#include "libcpropep/include/equilibrium.h"
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#include "libcpropep/include/const.h"
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/* MACRO: Number of symbol in the symbol table */
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#define N_SYMB 102
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/***************************************************************
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TYPE: Structure to hold information of species contain in the
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thermo data file
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****************************************************************/
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typedef struct _thermo
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{
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char name[19];
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char comments[57];
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int nint; /* number of different temperature interval */
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char id[7]; /* identification code */
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int elem[5];
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int coef[5];
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state_t state;
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double weight; /* molecular weight */
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float heat; /* heat of formation at 298.15 K (J/mol) */
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double dho; /* HO(298.15) - HO(0) */
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float range[4][2]; /* temperature range */
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int ncoef[4]; /* number of coefficient for Cp0/R */
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int ex[4][8]; /* exponent in empirical equation */
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double param[4][9];
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/* for species with data at only one temperature */
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/* especially condensed */
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float temp;
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float enth;
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} thermo_t;
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/***************************************************************
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TYPE: Structure to hold information of species contain in the
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propellant data file
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****************************************************************/
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typedef struct _propellant
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{
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char name[120]; /* name of the propellant */
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int elem[6]; /* element in the molecule (atomic number) max 6 */
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int coef[6]; /* stochiometric coefficient of this element
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(0 for none) */
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float heat; /* heat of formation in Joule/gram */
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float density; /* density in g/cubic cm */
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} propellant_t;
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extern propellant_t *propellant_list;
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extern thermo_t *thermo_list;
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extern const float molar_mass[];
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extern const char symb[][3];
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extern unsigned long num_thermo;
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extern unsigned long num_propellant;
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/*************************************************************
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FUNCTION: Search in the field name of thermo_list and return
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the value of the found item.
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PARAMETER: A string corresponding to what we search,
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example: "CO2"
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COMMENTS: If nothing is found, it return -1
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AUTHOR: Antoine Lefebvre
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modification bye Mark Pinese
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**************************************************************/
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int thermo_search(char *str);
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int propellant_search(char *str);
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int atomic_number(char *symbole);
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int propellant_search_by_formula(char *str);
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/*************************************************************
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FUNCTION: Return the enthalpy of the molecule in thermo_list[sp]
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at the temperature T in K. (Ho/RT)
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: It use the parametric form explain in the documentation
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to compute the value from the data read in the file
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thermo.dat
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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double enthalpy_0(int sp, float T);
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/*************************************************************
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FUNCTION: Return the entropy of the molecule in thermo_list[sp]
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at the temperature T in K. (So/RT)
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: It use the parametric form explain in the documentation
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to compute the value from the data read in the file
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thermo.dat
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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double entropy_0(int sp, float T);
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double entropy(int sp, state_t st, double ln_nj_n, float T, float P);
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/*************************************************************
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FUNCTION: Return the specific heat (Cp) of the molecule in
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thermo_list[sp] at the temperature T in K. (Cp/RT)
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: It use the parametric form explain in the documentation
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to compute the value from the data read in the file
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thermo.dat
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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double specific_heat_0(int sp, float T);
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double mixture_specific_heat_0(equilibrium_t *e, double temp);
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/*************************************************************
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FUNCTION: Return true if the thermochemical data are define for
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this temperature.
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PARAMETER: The same as for entropy
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COMMENTS: It is useful to determine if a specie is present at
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a given temperature.
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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int temperature_check(int sp, float T);
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double transition_temperature(int sp, float T);
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/*************************************************************
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FUNCTION: Return the variation of enthalpy of the molecule in
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thermo_list[sp] between the temperature T in K and
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298.15 K.
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: It call enthalpy(...) for the enthalpy at temperature
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T and use the field heat of thermo_t for the enthalpy
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at 298.15
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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double delta_enthalpy(int sp, float T);
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double propellant_enthalpy(equilibrium_t *e);
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double product_enthalpy(equilibrium_t *e);
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double product_entropy(equilibrium_t *e);
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double propellant_mass(equilibrium_t *e);
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int compute_density(composition_t *c);
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/*************************************************************
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FUNCTION: Return the gibbs free energy of the molecule in
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thermo_list[sp] at temperature T. (uo/RT)
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: g = H - ST where H is the enthalpy, T the temperature
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and S the entropy.
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**************************************************************/
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double gibbs_0(int sp, float T);
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/*************************************************************
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FUNCTION: Return the gibbs free energy of the molecule in
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thermo_list[sp] at temperature T, pressure P. (u/RT)
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PARAMETER: sp is the position in the array of the molecule
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T is the temperature in K
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COMMENTS: g = uo + ln(nj/n) + ln(P) for gazes
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g = uo for condensed
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AUTHOR: Antoine Lefebvre
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**************************************************************/
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/*double gibbs(int sp, state_t st, double nj, double n, float T, float P);*/
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double gibbs(int sp, state_t st, double nj_n_n, float T, float P);
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/***************************************************************
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FUNCTION: Return the heat of formation of a propellant in kJ/mol
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****************************************************************/
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double heat_of_formation(int molecule);
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/*************************************************************
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FUNCTION: Return the molar mass of a propellant (g/mol)
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PARAMETER: molecule is the number in propellant_list
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**************************************************************/
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double propellant_molar_mass(int molecule);
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double propellant_mass(equilibrium_t *e);
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#endif
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