sandbox/ecipriano/src/opensmoke.h

    OpenSMOKE++

    Basilisk interface for the OpenSMOKE++ library, which is a C++ framework for numerical simulations of reacting systems with detailed kinetic mechanisms, including thousands of chemical species and reactions. It provides the functionalities for managing the calculation of thermodynamics and transport properties of mixtures and for handling the chemical kinetics.

    OpenSMOKEInterface

    This module requires an external library, which contains both the OpenSMOKE++ library itself, and the C interface which contains the functions that can be called from Basilisk. It can be downloaded from github and it can be easily compiled using cmake, provided the following external dependencies: OpenSMOKE++, boost, Eigen, libconfig++.

    #include "OpenSMOKE_Interface.h"
    
    #pragma autolink -L$OPENSMOKE_INTERFACE/build -lopensmoke

    User Data

    The variable kinfolder, with the path of the kinetic scheme folder relative to the path $OPENSMOKE_INTERFACE/kinetics, must be set by the user.

    char * kinfolder;
    
    event defaults (i = 0)
    {
      char kinfolder_root[120];
      sprintf (kinfolder_root, "%s/kinetics/%s/kinetics",
          getenv ("OPENSMOKE_INTERFACE"), kinfolder);
    
      OpenSMOKE_ReadKinetics (kinfolder_root);
      //OpenSMOKE_ReadLiquidKinetics();
      //OpenSMOKE_ReadLiquidProperties();
    }
    
    event cleanup (t = end)
    {
      OpenSMOKE_Clean ();
    }

    References

    [cuoci2015opensmoke++]

    Alberto Cuoci, Alessio Frassoldati, Tiziano Faravelli, and Eliseo Ranzi. Opensmoke++: An object-oriented framework for the numerical modeling of reactive systems with detailed kinetic mechanisms. Computer Physics Communications, 192:237–264, 2015.