doxygen/CG/Chemkin_8h_source.html

#include "Overture.h"

#include "Reactions.h"


class Chemkin : public Reactions

{

 public:

  Chemkin();

  Chemkin(const aString & chemistryFileName, const aString & transportFileName =nullString );

  ~Chemkin();


  // ------ these functions are derived from the base class -----------------------------

  virtual void reactionRates( const real & teS,

                              const RealArray & kb,

                              const RealArray & kf );

  virtual void chemicalSource(const real & rhoS,

                              const real & teS,

                              const RealArray & y,

                              const RealArray & sigma,

                              const RealArray & sy=Overture::nullRealArray() );

  virtual void chemicalSource(const RealArray & rhoS, const RealArray & teS,

                              const RealArray & y,

                              const RealArray & sigma,

                              const RealArray & sy=Overture::nullRealArray() );


  // molecular weight of a species (kg/mole)

  virtual real mw(const int & species ) const;

  // absolute enthalpy of a species

  virtual real h(const int species, const real te );

  virtual RealArray & h(const int species,

                        const RealArray & teS,

                        const RealArray & h0 );


  // cp of a species

  virtual real cp(const int species, const real te );

  virtual RealArray & cp(const int species,

                         const RealArray & teS,

                         const RealArray & cp0 );

  virtual RealArray & entropy(const RealArray & teS,

                              const RealArray & pS,

                              const RealArray & y,

                              const RealArray & entropy );


  // new forms:

  virtual RealArray & h(const RealArray & teS,

                        const RealArray & hi );

  virtual RealArray & cp(const RealArray & teS,

                         const RealArray & cpi );

  virtual RealArray & sigmaFromScaledPTY( const RealArray & pS,

                                          const RealArray & teS,

                                          const RealArray & y,

                                          const RealArray & sigmai );

  virtual RealArray & sigmaFromPTY( const RealArray & pS,

                                    const RealArray & teS,

                                    const RealArray & y,

                                    const RealArray & sigmai );


  virtual RealArray & sigmaFromRPTY(const RealArray & rhoS,

                                    const RealArray & pS,

                                    const RealArray & teS,

                                    const RealArray & y,

                                    const RealArray & sigmai );

//   virtual void chemistrySource( const RealArray & p,

//                              const RealArray & te,

//                              const RealArray & y,

//                              const RealArray & rho,

//                              const RealArray & source );


  // mixture viscosity:

  virtual RealArray & viscosity(const RealArray & teS,

                                const RealArray & y,

                                const RealArray & eta );

  // mixture thermal conductivity

  virtual RealArray & thermalConductivity(const RealArray & teS,

                                          const RealArray & y,

                                          const RealArray & lambda );

  // mixture diffusion coefficients

  virtual RealArray & diffusion(const RealArray & pS,

                                const RealArray & teS,

                                const RealArray & y,

                                const RealArray & lambda );


  // ------------------------------------------------------------------------------------------


  int initialize(const aString & chemistryFileName,

                 const aString & transportFileName=nullString);  // supply a Chemkin binary file to read


  int rhoY( const RealArray & pS,

            const RealArray & teS,

            const RealArray & yS,

            const RealArray & rhoS );

  int cpBS( const RealArray & teS,

            const RealArray & y,

            const RealArray & cp );

  int wYP( const RealArray & pS,

           const RealArray & teS,

           const RealArray & y,

           const RealArray & wDot );


 protected:

  intArray iwork, imcwrk;   // work arrays for Chemkin and the transport routines

  RealArray rwork, rmcwrk;


  char *cwork;

  int numberOfCoefficientsInFit;


};