antioch_mixture.h

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//-----------------------------------------------------------------------bl-
//--------------------------------------------------------------------------
//
// GRINS - General Reacting Incompressible Navier-Stokes
//
// Copyright (C) 2014-2017 Paul T. Bauman, Roy H. Stogner
// Copyright (C) 2010-2013 The PECOS Development Team
//
// This library is free software; you can redistribute it and/or
// modify it under the terms of the Version 2.1 GNU Lesser General
// Public License as published by the Free Software Foundation.
//
// This library 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
// Lesser General Public License for more details.
//
// You should have received a copy of the GNU Lesser General Public
// License along with this library; if not, write to the Free Software
// Foundation, Inc. 51 Franklin Street, Fifth Floor,
// Boston, MA  02110-1301  USA
//
//-----------------------------------------------------------------------el-


#ifndef GRINS_ANTIOCH_MIXTURE_H
#define GRINS_ANTIOCH_MIXTURE_H

#include "grins_config.h"

#ifdef GRINS_HAVE_ANTIOCH

// GRINS
#include "grins/antioch_chemistry.h"
#include "grins/property_types.h"

// libMesh
#include "libmesh/libmesh_common.h"

// Antioch
#include "antioch/vector_utils_decl.h"
#include "antioch/vector_utils.h"
#include "antioch/chemical_mixture.h"
#include "antioch/nasa_mixture.h"
#include "antioch/cea_curve_fit.h"
#include "antioch/reaction_set.h"

// libMesh forward declarations
class GetPot;

namespace GRINS
{

  template <typename KineticsThermoCurveFit>
  class AntiochMixture : public AntiochChemistry
  {
  public:

    AntiochMixture( const GetPot& input, const std::string& material );



    AntiochMixture( libMesh::UniquePtr<Antioch::ChemicalMixture<libMesh::Real> > & chem_mixture,
                    libMesh::UniquePtr<Antioch::ReactionSet<libMesh::Real> > & reaction_set,
                    libMesh::UniquePtr<Antioch::NASAThermoMixture<libMesh::Real,KineticsThermoCurveFit> > & nasa_mixture,
                    libMesh::Real min_T = -std::numeric_limits<libMesh::Real>::max(),
                    bool clip_negative_rho = false );

    virtual ~AntiochMixture(){};

    // Registers all parameters in this physics and in its property
    // classes
    virtual void register_parameter
    ( const std::string & param_name,
      libMesh::ParameterMultiAccessor<libMesh::Number> & param_pointer )
      const;

    const Antioch::ReactionSet<libMesh::Real>& reaction_set() const;

    const Antioch::NASAThermoMixture<libMesh::Real,KineticsThermoCurveFit> & nasa_mixture() const;

    libMesh::Real h_stat_mech_ref_correction( unsigned int species ) const;

    // Returns the minimum temperature at which reactions will be
    // evaluated, in Kelvin
    libMesh::Real minimum_T() const;

    // Returns true iff negative species densities are clipped to zero
    // when calculating reaction rates.
    bool clip_negative_rho() const;

  protected:

    libMesh::UniquePtr<Antioch::ReactionSet<libMesh::Real> > _reaction_set;

    libMesh::UniquePtr<Antioch::NASAThermoMixture<libMesh::Real,KineticsThermoCurveFit> > _nasa_mixture;

    std::vector<libMesh::Real> _h_stat_mech_ref_correction;

    void build_stat_mech_ref_correction();

    // Users can specify a minimum temperature at which to evaluate
    // reaction rates.  Some reaction equations give us NaNs at 0
    // Kelvin or less, and solution "ringing" can result in those
    // unphysical temperatures for some formulations near strong
    // fronts.
    //
    // By default, temperatures are not clipped to any minimum.
    libMesh::Real _minimum_T;

    // Users can request that negative densities be clipped to zero
    // when evaluating reaction rates.  Some reaction equations fail
    // badly with negative densities input, and solution "ringing" can
    // result in those unphysical densities for some formulations near
    // strong fronts.
    //
    // By default, negative densities are not clipped to zero.
    bool _clip_negative_rho;

  private:

    AntiochMixture();

  };

  /* ------------------------- Inline Functions -------------------------*/
  template <typename KineticsThermoCurveFit>
  inline
  const Antioch::ReactionSet<libMesh::Real>&
  AntiochMixture<KineticsThermoCurveFit>::reaction_set() const
  {
    return *_reaction_set.get();
  }

  template <typename KineticsThermoCurveFit>
  inline
  const Antioch::NASAThermoMixture<libMesh::Real,KineticsThermoCurveFit> &
  AntiochMixture<KineticsThermoCurveFit>::nasa_mixture() const
  {
    return *_nasa_mixture.get();
  }

  template <typename KineticsThermoCurveFit>
  inline
  libMesh::Real
  AntiochMixture<KineticsThermoCurveFit>::h_stat_mech_ref_correction( unsigned int species ) const
  {
    return _h_stat_mech_ref_correction[species];
  }

  template <typename KineticsThermoCurveFit>
  inline
  libMesh::Real AntiochMixture<KineticsThermoCurveFit>::minimum_T() const
  {
    return _minimum_T;
  }

  template <typename KineticsThermoCurveFit>
  inline
  bool AntiochMixture<KineticsThermoCurveFit>::clip_negative_rho() const
  {
    return _clip_negative_rho;
  }

} // end namespace GRINS

#endif // GRINS_HAVE_ANTIOCH

#endif // GRINS_ANTIOCH_MIXTURE_H