cs_combustion_gas.h

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#ifndef __CS_COMBUSTION_GAS_H__
#define __CS_COMBUSTION_GAS_H__
 
/*============================================================================
 * Gas combustion model.
 *============================================================================*/
 
/*
  This file is part of code_saturne, a general-purpose CFD tool.
 
  Copyright (C) 1998-2025 EDF S.A.
 
  This program is free software; you can redistribute it and/or modify it under
  the terms of the GNU General Public License as published by the Free Software
  Foundation; either version 2 of the License, or (at your option) any later
  version.
 
  This program is distributed in the hope that it will be useful, but WITHOUT
  ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
  FOR A PARTICULAR PURPOSE.  See the GNU General Public License for more
  details.
 
  You should have received a copy of the GNU General Public License along with
  this program; if not, write to the Free Software Foundation, Inc., 51 Franklin
  Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
 
/*----------------------------------------------------------------------------*/
 
/*----------------------------------------------------------------------------
 * Standard C library headers
 *----------------------------------------------------------------------------*/
 
/*----------------------------------------------------------------------------
 * Local headers
 *----------------------------------------------------------------------------*/
 
#include "base/cs_defs.h"
#include "base/cs_field.h"
#include "pprt/cs_physical_model.h"
 
/*----------------------------------------------------------------------------*/
 
BEGIN_C_DECLS
 
/*============================================================================
 * Macro definitions
 *============================================================================*/

#define  CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES  25

#define  CS_COMBUSTION_GAS_MAX_ATOMIC_SPECIES  5

#define CS_COMBUSTION_GAS_MAX_OXYDANTS 3

#define  CS_COMBUSTION_GAS_MAX_ELEMENTARY_COMPONENTS  20

#define CS_COMBUSTION_GAS_MAX_GLOBAL_REACTIONS 1

#define  CS_COMBUSTION_GAS_MAX_TABULATION_POINTS  50

#define  CS_COMBUSTION_GAS_MAX_DIRAC  5
 
/*============================================================================
 * Type definitions
 *============================================================================*/

/*-----------------------*/
 
typedef enum {
 
  CS_COMBUSTION_GAS_NONE = -1,

  CS_COMBUSTION_3PT_ADIABATIC = CS_COMBUSTION_3PT*100,

  CS_COMBUSTION_3PT_PERMEATIC = CS_COMBUSTION_3PT*100 + 1,

  CS_COMBUSTION_BSH_ADIABATIC = CS_COMBUSTION_3PT*100 + 2,

  CS_COMBUSTION_BSH_PERMEATIC = CS_COMBUSTION_3PT*100 + 3,

  CS_COMBUSTION_SLFM_STEADY_ADIABATIC = CS_COMBUSTION_SLFM*100,

  CS_COMBUSTION_SLFM_STEADY_PERMEATIC = CS_COMBUSTION_SLFM*100 + 1,

  CS_COMBUSTION_SLFM_PROGRESS_ADIABATIC = CS_COMBUSTION_SLFM*100 + 2,

  CS_COMBUSTION_SLFM_PROGRESS_PERMEATIC = CS_COMBUSTION_SLFM*100 + 3,

  CS_COMBUSTION_EBU_CONSTANT_ADIABATIC = CS_COMBUSTION_EBU*100,

  CS_COMBUSTION_EBU_CONSTANT_PERMEATIC = CS_COMBUSTION_EBU*100 + 1,

  CS_COMBUSTION_EBU_VARIABLE_ADIABATIC = CS_COMBUSTION_EBU*100 + 2,

  CS_COMBUSTION_EBU_VARIABLE_PERMEATIC = CS_COMBUSTION_EBU*100 + 3,

  CS_COMBUSTION_LW_2PEAK_ADIABATIC = CS_COMBUSTION_LW*100,

  CS_COMBUSTION_LW_2PEAK_PERMEATIC = CS_COMBUSTION_LW*100 + 1,

  CS_COMBUSTION_LW_3PEAK_ADIABATIC = CS_COMBUSTION_LW*100 + 2,

  CS_COMBUSTION_LW_3PEAK_PERMEATIC = CS_COMBUSTION_LW*100 + 3,

  CS_COMBUSTION_LW_4PEAK_ADIABATIC = CS_COMBUSTION_LW*100 + 4,

  CS_COMBUSTION_LW_4PEAK_PERMEATIC = CS_COMBUSTION_LW*100 + 5
 
} cs_combustion_gas_model_type_t;

 
typedef struct {
 
  int    n_dirac;  
  double vref;     
  double lref;     
  double ta;       
  double tstar;    
  double fmin;
  double fmax;
  double hmin;
  double hmax;
  double coeff1;
  double coeff2;
  double coeff3;
 
  cs_field_t  *tsc;     /*< source term */
  cs_field_t  *mam;     /*< molar mass */
 
  cs_field_t  *rhol[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *teml[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *fmel[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *fmal[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *ampl[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *tscl[CS_COMBUSTION_GAS_MAX_DIRAC];
  cs_field_t  *maml[CS_COMBUSTION_GAS_MAX_DIRAC];
 
} cs_libby_williams_params_t;

/*--------------------------------------------*/
 
typedef struct {
 
  /* Generic members
     ---------------
     (keep aligned with coal combustion, so that we can
     move to an object inheritance model in the future) */
 
  int     n_gas_el_comp;             
  int     n_gas_species;             
  int     n_atomic_species;          
 
  int     n_reactions;               
 
  int     n_tab_points;              
 
  double  pcigas;                    
  double  xco2;                      
  double  xh2o;                      

  double  wmole[CS_COMBUSTION_GAS_MAX_ELEMENTARY_COMPONENTS];

  double  wmolat[CS_COMBUSTION_GAS_MAX_ATOMIC_SPECIES];

  double  oxyn2[CS_COMBUSTION_GAS_MAX_OXYDANTS];

  double  oxyh2o[CS_COMBUSTION_GAS_MAX_OXYDANTS];

  double  oxyco2[CS_COMBUSTION_GAS_MAX_OXYDANTS];

  double  th[CS_COMBUSTION_GAS_MAX_TABULATION_POINTS];
 
  /* Members specific to the gas combustion model
     -------------------------------------------- */
 
  cs_combustion_gas_model_type_t  type;  
 
  char   *data_file_name;       /* Name of thermochemistry data file */
 
  bool    use_janaf;            
 
  int     iic;                  
  int     iico2;                
  int     iio2;                 
  int     isoot;                
  int     ientgf;               
  int     ientgb;               
 
  double  hinfue;               
  double  tinfue;               
  double  tinoxy;               
  double  hinoxy;               
 
  double  xsoot;                
  double  rosoot;               
  double  lsp_fuel;             
 
  double  frmel;                
  double  tgf;                  
  double  cebu;                 

  double  wmolg[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];

  double  coefeg[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES]
                [CS_COMBUSTION_GAS_MAX_ELEMENTARY_COMPONENTS];

  double  compog[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES]
                [CS_COMBUSTION_GAS_MAX_ELEMENTARY_COMPONENTS];

  double fs[CS_COMBUSTION_GAS_MAX_GLOBAL_REACTIONS];

  double cp_gas_g[CS_COMBUSTION_GAS_MAX_TABULATION_POINTS]
                 [CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];

  double eh_gas_g[CS_COMBUSTION_GAS_MAX_TABULATION_POINTS]
                 [CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];

  double  ckabsg[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];
 
  /* Pointers to gas combustion fields
     ---------------------------------- */
 
  cs_field_t  *fm;      /*< mixing rate */
  cs_field_t  *fp2m;    /*< mixing rate variance */
  cs_field_t  *fsqm;    /*< second moment of the mixing rate */
  cs_field_t  *pvm;     /*< transported progress variable (some SFLM variants) */
  cs_field_t  *ygfm;    /*< fresh gas mass fraction */
  cs_field_t  *yfm;     /*< mass fraction */
  cs_field_t  *yfp2m;   /*< mass fraction variance */
  cs_field_t  *coyfp;   /*< mass fraction covariance */
 
  cs_field_t  *npm;     /*< soot precursor number */
  cs_field_t  *fsm;     /*< soot mass fraction */
 
  cs_field_t *xr;       /*< heat loss */
  cs_field_t *hrr;      /*< heat release rate */
  cs_field_t *omgc;     /*< Omega C */
  cs_field_t *totki;    /*< total dissipation */
  cs_field_t *recvr;    /*< reconstructed fp2m */
 
  /* fuel, oxydizer, and product mass fractions */
  cs_field_t  *ym[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];
 
  /* fuel, oxydizer, and product mass fractions at boundary*/
  cs_field_t  *bym[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES];
 
  cs_field_t  *t2m;     /*< state variable:  \f$T^2\f$ term */
  cs_field_t  *t3m;     /*< state variable:  \f$T^3\f$ term (radiation model) */
  cs_field_t  *t4m;     /*< state variable:  \f$T^4\f$ term (radiation model) */
  cs_field_t  *ckabs;   /*< state variable: radiation absorption coefficient */
 
  /* Numerical parameters
     -------------------- */
 
  double srrom;  

 
  double coeff_therm[7][2][5];

 
  cs_libby_williams_params_t  lw;

 
  int n_gas_fl;  
  int nki;       
  int nxr;       
  int nzm;       
  int nzvar;     
  int nlibvar;   
  int ikimid;    

  int mode_fp2m;

  char  flamelet_species_name[CS_COMBUSTION_GAS_MAX_GLOBAL_SPECIES][13];
 
  cs_real_t  *flamelet_library_p;  
 
} cs_combustion_gas_model_t;
 
/*============================================================================
 * Global variables
 *============================================================================*/

 
extern cs_combustion_gas_model_t  *cs_glob_combustion_gas_model;
 
/*=============================================================================
 * Public function prototypes
 *============================================================================*/
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Activate gas combustion model.
 *
 * \return  pointer to gas combustion model structure.
 *
 * \param[in]  type  gas combustion model type
 */
/*----------------------------------------------------------------------------*/
 
cs_combustion_gas_model_t  *
cs_combustion_gas_set_model(cs_combustion_gas_model_type_t  type);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Set the thermochemical data file name.
 *
 * \param[in] file_name  name of the file.
 */
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_set_thermochemical_data_file(const char  *file_name);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_setup(void);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Print the gas combustion module options to setup.log.
 */
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_log_setup(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_add_variable_fields(void);
 
/*----------------------------------------------------------------------------*/
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_add_property_fields(void);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Compute molar and mass fractions of
 *        elementary species Ye, Xe (fuel, O2, CO2, H2O, N2) from
 *        global species Yg (fuel, oxidant, products).
 *
 * \param[in]     yg            global mass fraction
 * \param[out]    ye            elementary mass fraction
 * \param[out]    xe            elementary molar fraction
 */
/*----------------------------------------------------------------------------*/
 
void
cs_combustion_gas_yg2xye(const cs_real_t  yg[],
                         cs_real_t        ye[],
                         cs_real_t        xe[]);
 
/*----------------------------------------------------------------------------*/
 
END_C_DECLS
 
#endif /* __CS_COMBUSTION_GAS_H__ */