cs_coal.h

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#ifndef __CS_COAL_H__
#define __CS_COAL_H__
 
/*============================================================================
 * Coal combustion model.
 *============================================================================*/
 
/*
  This file is part of code_saturne, a general-purpose CFD tool.
 
  Copyright (C) 1998-2024 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 "cs_defs.h"
#include "cs_field.h"
 
/*----------------------------------------------------------------------------*/
 
BEGIN_C_DECLS
 
/*============================================================================
 * Macro definitions
 *============================================================================*/
 
#define  CS_COMBUSTION_MAX_COALS  5
 
#define CS_COMBUSTION_COAL_MAX_OXYDANTS 3
 
#define  CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES  25
 
#define  CS_COMBUSTION_COAL_MAX_ATOMIC_SPECIES  5
 
#define  CS_COMBUSTION_MAX_CLASSES_PER_COAL  20
 
#define  CS_COMBUSTION_COAL_MAX_CLASSES    CS_COMBUSTION_MAX_COALS \
                                         * CS_COMBUSTION_MAX_CLASSES_PER_COAL
 
#define  CS_COMBUSTION_COAL_MAX_ELEMENTARY_COMPONENTS  20
 
#define  CS_COMBUSTION_COAL_MAX_TABULATION_POINTS  8
 
#define  CS_COMBUSTION_COAL_MAX_SOLIDS  CS_COMBUSTION_MAX_COALS * 4
 
/*============================================================================
 * Type definitions
 *============================================================================*/
 
/*------------------------------*/
 
typedef enum {
 
  CS_COMBUSTION_COAL_NONE = -1,
 
  CS_COMBUSTION_COAL_STANDARD = 0,
  CS_COMBUSTION_COAL_WITH_DRYING = 1
 
} cs_coal_model_type_t;
 
/*---------------------------------------------*/
 
typedef struct {
 
  /* Generic members
     ---------------
     (keep aligned with gas 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_COAL_MAX_ELEMENTARY_COMPONENTS];
 
  double  wmolat[CS_COMBUSTION_COAL_MAX_ATOMIC_SPECIES];
 
  double  oxyo2[CS_COMBUSTION_COAL_MAX_OXYDANTS];
 
  double  oxyn2[CS_COMBUSTION_COAL_MAX_OXYDANTS];
 
  double  oxyh2o[CS_COMBUSTION_COAL_MAX_OXYDANTS];
 
  double  oxyco2[CS_COMBUSTION_COAL_MAX_OXYDANTS];
 
  double  th[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS];
 
  double ehgaze[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS]
               [CS_COMBUSTION_COAL_MAX_ELEMENTARY_COMPONENTS];
 
  /* Members specific to the coal combustion model
     --------------------------------------------- */
 
  cs_coal_model_type_t  type;  
  int     n_coals;     
  int     nclacp;      
  int     nsolid;      
  int     noxyd;       
  int     idrift;      
  int     ieqco2;      
  int     ihtco2;      
  int     ieqnox;      
  int     imdnox;      
  int     irb;         
  double  ckabs0;      
  int     n_classes_per_coal[CS_COMBUSTION_MAX_COALS];
 
  /* Properties of dry coal
     ---------------------- */
 
  double cch[CS_COMBUSTION_MAX_COALS];
 
  double hch[CS_COMBUSTION_MAX_COALS];
 
  double och[CS_COMBUSTION_MAX_COALS];
 
  double sch[CS_COMBUSTION_MAX_COALS];
 
  double nch[CS_COMBUSTION_MAX_COALS];
 
  double pcich[CS_COMBUSTION_MAX_COALS];
 
  double rho0ch[CS_COMBUSTION_MAX_COALS];
 
  double thcdch[CS_COMBUSTION_MAX_COALS];
 
  double cck[CS_COMBUSTION_MAX_COALS];
 
  double hck[CS_COMBUSTION_MAX_COALS];
 
  double ock[CS_COMBUSTION_MAX_COALS];
 
  double sck[CS_COMBUSTION_MAX_COALS];
 
  double nck[CS_COMBUSTION_MAX_COALS];
 
  double pcick[CS_COMBUSTION_MAX_COALS];
 
  double rhock[CS_COMBUSTION_MAX_COALS];
 
  double cpashc[CS_COMBUSTION_MAX_COALS];
 
  double h0ashc[CS_COMBUSTION_MAX_COALS];
 
  double h02ch[CS_COMBUSTION_MAX_COALS];
 
  double  crepn1[CS_COMBUSTION_MAX_COALS][2];
 
  double  crepn2[CS_COMBUSTION_MAX_COALS][2];
 
  double  cp2ch[CS_COMBUSTION_MAX_COALS];
 
  double xashsec[CS_COMBUSTION_MAX_COALS];
 
  double  xashch[CS_COMBUSTION_MAX_COALS];
 
  double  xwatch[CS_COMBUSTION_MAX_COALS];
 
  /* Kinetic parameters for devolatilization (Kobayashi's model)
     ----------------------------------------------------------- */
 
  int iy1ch [CS_COMBUSTION_MAX_COALS];
 
  int iy2ch [CS_COMBUSTION_MAX_COALS];
 
  int iochet [CS_COMBUSTION_MAX_COALS];
 
  int ioetc2[CS_COMBUSTION_MAX_COALS];
 
  int ioetwt[CS_COMBUSTION_MAX_COALS];
 
  double  y1ch[CS_COMBUSTION_MAX_COALS];
 
  double  a1ch[CS_COMBUSTION_MAX_COALS];
 
  double  e1ch[CS_COMBUSTION_MAX_COALS];
 
  double  y2ch[CS_COMBUSTION_MAX_COALS];
 
  double  a2ch[CS_COMBUSTION_MAX_COALS];
 
  double  e2ch[CS_COMBUSTION_MAX_COALS];
 
  /* Kinetics  of heterogeneous coke combustion (shrinking sphere model)
     ------------------------------------------------------------------ */
 
  double  ahetch[CS_COMBUSTION_MAX_COALS];
 
  double  ehetch[CS_COMBUSTION_MAX_COALS];
 
  double  ahetc2[CS_COMBUSTION_MAX_COALS];
 
  double  ehetc2[CS_COMBUSTION_MAX_COALS];
 
  double  ahetwt[CS_COMBUSTION_MAX_COALS];
 
  double  ehetwt[CS_COMBUSTION_MAX_COALS];
 
  /* Enthalpy of reactive coal, coke, and ash
     ---------------------------------------- */
 
  int     ich[CS_COMBUSTION_MAX_COALS];
 
  int     ick[CS_COMBUSTION_MAX_COALS];
 
  int     iash[CS_COMBUSTION_MAX_COALS];
 
  int     iwat[CS_COMBUSTION_MAX_COALS];
 
  double  ehsoli[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS]
                [CS_COMBUSTION_COAL_MAX_SOLIDS];
 
  double  wmols[CS_COMBUSTION_COAL_MAX_SOLIDS];
 
  double  eh0sol[CS_COMBUSTION_COAL_MAX_SOLIDS];
 
  /* By class (deduced properties)
     ----------------------------- */
 
  int     ichcor[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  diam20[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  dia2mn[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  rho20[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  rho2mn[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  xmp0[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  double  xmash[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  /* Data relative to combustion of gaseous species
     ---------------------------------------------- */
 
  int     ico;         
  int     io2;         
  int     ih2o;        
  int     in2;         
  int     ico2;        
  int ichx1c[CS_COMBUSTION_MAX_COALS];
 
  int ichx2c[CS_COMBUSTION_MAX_COALS];
 
  int ichx1;
 
  int ichx2;
 
  double chx1[CS_COMBUSTION_MAX_COALS];
 
  double chx2[CS_COMBUSTION_MAX_COALS];
 
 
  double a1[CS_COMBUSTION_MAX_COALS];
  double b1[CS_COMBUSTION_MAX_COALS];
  double c1[CS_COMBUSTION_MAX_COALS];
  double d1[CS_COMBUSTION_MAX_COALS];
  double e1[CS_COMBUSTION_MAX_COALS];
  double f1[CS_COMBUSTION_MAX_COALS];
  double a2[CS_COMBUSTION_MAX_COALS];
  double b2[CS_COMBUSTION_MAX_COALS];
  double c2[CS_COMBUSTION_MAX_COALS];
  double d2[CS_COMBUSTION_MAX_COALS];
  double e2[CS_COMBUSTION_MAX_COALS];
  double f2[CS_COMBUSTION_MAX_COALS];
 
 
  double af3[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af4[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af5[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af6[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af7[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af8[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
  double af9[CS_COMBUSTION_COAL_MAX_GLOBAL_SPECIES];
 
 
  double ka[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS][4];
  double kb[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS][4];
  double kc[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS][4];
  double chi2[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS];
 
  double teno[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS];
 
  int  ihy;    
  int  ih2s;   
  int  iso2;   
  int  ihcn;   
  int  inh3;   
  /* Complement table
     ---------------- */
 
  double thc[CS_COMBUSTION_COAL_MAX_TABULATION_POINTS];
 
  int npoc;
 
  /* Combustion of coke by H2O
     ------------------------- */
 
  int ihth2o;
 
  int ipci[CS_COMBUSTION_MAX_COALS];
 
  /* NOx model
     --------- */
 
  double qpr[CS_COMBUSTION_MAX_COALS];
 
  double fn[CS_COMBUSTION_MAX_COALS];
 
  double yhcnle[CS_COMBUSTION_MAX_COALS];
 
  double yhcnlo[CS_COMBUSTION_MAX_COALS];
 
  double ynh3le[CS_COMBUSTION_MAX_COALS];
 
  double ynh3lo[CS_COMBUSTION_MAX_COALS];
 
  double repnle[CS_COMBUSTION_MAX_COALS];
 
  double repnlo[CS_COMBUSTION_MAX_COALS];
 
  double repnck[CS_COMBUSTION_MAX_COALS];
 
  double yhcnc1[CS_COMBUSTION_MAX_COALS];
 
  double ynoch1[CS_COMBUSTION_MAX_COALS];
 
  double yhcnc2[CS_COMBUSTION_MAX_COALS];
 
  double ynoch2[CS_COMBUSTION_MAX_COALS];
 
  double wmchx1;
 
  double wmchx2;
 
  /* Ids of coal combustion fields
     ----------------------------- */
 
  int ihgas;   
  int iyco2;   
  int iyhcn;   
  int iynh3;   
  int iyno;    
  int ihox;    
  int if1m[CS_COMBUSTION_MAX_COALS];
 
  int if2m[CS_COMBUSTION_MAX_COALS];
 
  int if4m;    
  int if5m;    
  int if6m;    
  int if7m;    
  int if8m;    
  int if9m;    
  int ifvp2m;  
  int ixck[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ixch[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int inp[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ih2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ixwt[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int iym1[CS_COMBUSTION_COAL_MAX_ELEMENTARY_COMPONENTS];
 
  int irom1;   
  int immel;   
  int igrb;    
  int itemp2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int irom2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int idiam2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ix2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmdch[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmhet[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmtr[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ighco2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ighh2o[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmdv1[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmdv2[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int igmsec[CS_COMBUSTION_COAL_MAX_CLASSES];
 
  int ibcarbone;   
  int iboxygen;    
  int ibhydrogen;  
  int ighcn1;   
  int ighcn2;   
  int ignoth;   
  int ignh31;   
  int ignh32;   
  int ifhcnd;   
  int ifhcnc;   
  int ifnh3d;   
  int ifnh3c;   
  int ifnohc;   
  int ifnonh;   
  int ifnoch;   
  int ifnoth;   
  int ifhcnr;   
  int icnohc;   
  int icnonh;   
  int icnorb;   
  /* Numerical parameters
     -------------------- */
 
  double srrom;  
} cs_coal_model_t;
 
/*=============================================================================
 * Global variables
 *============================================================================*/
 
extern cs_coal_model_t  *cs_glob_coal_model;
 
/* molar volume under normal pressure and temperature conditions
   (1 atmosphere, 0 degres C) in m-3 */
 
extern const double  cs_coal_trefth;
extern const double  cs_coal_prefth;
extern const double  cs_coal_volmol;
 
/* ids for atom types in wmolat */
extern const int  cs_coal_atom_id_c;
extern const int  cs_coal_atom_id_h;
extern const int  cs_coal_atom_id_o;
extern const int  cs_coal_atom_id_n;
extern const int  cs_coal_atom_id_s;
 
/* precision for tests */
extern const double cs_coal_epsilon;
 
/*============================================================================
 * Public function prototypes
 *============================================================================*/
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Return coal combustion model type.
 *
 * \return type of active coal combustion model
 *         (CS_COMBUSTION_COAL_NONE if model not active)
 */
/*----------------------------------------------------------------------------*/
 
cs_coal_model_type_t
cs_coal_model_get_type(void);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Activate coal combustion model.
 *
 * \return  pointer to coal combustion model structure.
 *
 * \param[in]  type  coal combustion model type
 */
/*----------------------------------------------------------------------------*/
 
cs_coal_model_t *
cs_coal_model_set_model(cs_coal_model_type_t  type);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Specific setup operations for pulverized coal combustion model.
 */
/*----------------------------------------------------------------------------*/
 
void
cs_coal_setup(void);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Compute mass transfer terms between the continous and dispersed phase.
 */
/*----------------------------------------------------------------------------*/
 
void
cs_coal_mass_transfer(void);
 
/*----------------------------------------------------------------------------*/
/*
 * \brief Take in account the radiative source terms in the particle equation
 *        of a given class for pulverized coal flame.
 *
 * \param[in]      f       pointer to scalar field
 * \param[in, out] smbrs   right and side (explicit ST contribution)
 * \param[in, out] rovsdt  system diagonal (implicit ST contribution)
 */
/*----------------------------------------------------------------------------*/
 
void
cs_coal_rad_transfer_st(const cs_field_t  *f,
                        cs_real_t         *smbrs,
                        cs_real_t         *rovsdt);
 
/*----------------------------------------------------------------------------*/
 
END_C_DECLS
 
#endif /* __CS_COAL__ */