antioch_mixture_averaged_transport_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.
//
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// 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
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//-----------------------------------------------------------------------el-


#ifndef GRINS_WILKE_ANTIOCH_TRANSPORT_MIXTURE_H
#define GRINS_WILKE_ANTIOCH_TRANSPORT_MIXTURE_H

#include "grins_config.h"

#ifdef GRINS_HAVE_ANTIOCH

// GRINS
#include "grins/antioch_mixture.h"
#include "grins/property_types.h"
#include "grins/materials_parsing.h"

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

// Antioch
#include "antioch/vector_utils_decl.h"
#include "antioch/vector_utils.h"
#include "antioch/cea_curve_fit.h"
#include "antioch/nasa_evaluator.h"
#include "antioch/ideal_gas_micro_thermo.h"
#include "antioch/stat_mech_thermo.h"
#include "antioch/mixture_averaged_transport_mixture.h"
#include "antioch/mixture_viscosity.h"
#include "antioch/mixture_conductivity.h"
#include "antioch/mixture_diffusion.h"
#include "antioch/sutherland_viscosity.h"
#include "antioch/blottner_viscosity.h"
#include "antioch/eucken_thermal_conductivity.h"
#include "antioch/constant_lewis_diffusivity.h"

#include "antioch/sutherland_parsing.h"
#include "antioch/blottner_parsing.h"
#include "antioch/eucken_thermal_conductivity_building.h"
#include "antioch/constant_lewis_diffusivity_building.h"

#ifdef ANTIOCH_HAVE_GSL

#include "antioch/kinetics_theory_viscosity.h"
#include "antioch/kinetics_theory_thermal_conductivity.h"
#include "antioch/molecular_binary_diffusion.h"
#include "antioch/gsl_spliner.h"
#include "antioch/kinetics_theory_viscosity_building.h"
#include "antioch/kinetics_theory_thermal_conductivity_building.h"

#endif // ANTIOCH_HAVE_GSL

namespace GRINS
{

  template<typename KineticsThermoCurveFit, typename Thermo, typename Viscosity, typename Conductivity, typename Diffusivity>
  class AntiochMixtureAveragedTransportMixture : public AntiochMixture<KineticsThermoCurveFit>
  {
  public:

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

    AntiochMixtureAveragedTransportMixture( libMesh::UniquePtr<Antioch::ChemicalMixture<libMesh::Real> > & chem_mixture,
                                            libMesh::UniquePtr<Antioch::ReactionSet<libMesh::Real> > & reaction_set,
                                            libMesh::UniquePtr<Antioch::NASAThermoMixture<libMesh::Real,KineticsThermoCurveFit> > & kinetics_thermo_mix,
                                            libMesh::UniquePtr<Antioch::TransportMixture<libMesh::Real> > & trans_mix,
                                            libMesh::UniquePtr<Antioch::MixtureAveragedTransportMixture<libMesh::Real> > & wilke_mix,
                                            libMesh::UniquePtr<Antioch::MixtureViscosity<Viscosity,libMesh::Real> > & visc,
                                            libMesh::UniquePtr<Antioch::MixtureDiffusion<Diffusivity,libMesh::Real> > & diff,
                                            libMesh::Real min_T = -std::numeric_limits<libMesh::Real>::max(),
                                            bool clip_negative_rho = false );

    virtual ~AntiochMixtureAveragedTransportMixture(){}

    const Antioch::MixtureAveragedTransportMixture<libMesh::Real>& wilke_mixture() const;

    const Antioch::MixtureViscosity<Viscosity,libMesh::Real>& viscosity() const;

    const Antioch::MixtureConductivity<Conductivity,libMesh::Real>& conductivity() const;

    const Antioch::MixtureDiffusion<Diffusivity,libMesh::Real>& diffusivity() const;

    typedef AntiochChemistry ChemistryParent;

  protected:

    libMesh::UniquePtr<Antioch::TransportMixture<libMesh::Real> > _trans_mixture;

    libMesh::UniquePtr<Antioch::MixtureAveragedTransportMixture<libMesh::Real> > _wilke_mixture;

    libMesh::UniquePtr<Thermo> _thermo;

    libMesh::UniquePtr<Antioch::NASAEvaluator<libMesh::Real,KineticsThermoCurveFit> > _nasa_evaluator;

    libMesh::UniquePtr<Antioch::MixtureViscosity<Viscosity,libMesh::Real> > _viscosity;

    libMesh::UniquePtr<Antioch::MixtureConductivity<Conductivity,libMesh::Real> > _conductivity;

    libMesh::UniquePtr<Antioch::MixtureDiffusion<Diffusivity,libMesh::Real> > _diffusivity;

    /* Below we will specialize the specialized_build_* functions to the appropriate type.
       This way, we can control how the cached transport objects get constructed
       based on the template type. This is achieved by the dummy types forcing operator
       overloading for each of the specialized types. */
    void build_thermo()
    { specialized_build_thermo( _thermo, thermo_type<Thermo>() ); }

    void build_viscosity( const GetPot& input, const std::string& material )
    { specialized_build_viscosity( input, material, _viscosity, viscosity_type<Viscosity>() ); }

    void build_conductivity()
    { specialized_build_conductivity( _conductivity, conductivity_type<Conductivity>() ); }

    void build_diffusivity( const GetPot& input, const std::string& material )
    { specialized_build_diffusivity( input, material, _diffusivity, diffusivity_type<Diffusivity>() ); }

  private:

    AntiochMixtureAveragedTransportMixture();

    void specialized_build_thermo( libMesh::UniquePtr<Antioch::StatMechThermodynamics<libMesh::Real> > & thermo,
                                   thermo_type<Antioch::StatMechThermodynamics<libMesh::Real> > )
    {
      thermo.reset( new Antioch::StatMechThermodynamics<libMesh::Real>( *(this->_antioch_gas.get()) ) );
    }

    void specialized_build_thermo( libMesh::UniquePtr<Antioch::IdealGasMicroThermo<Antioch::NASAEvaluator<libMesh::Real,KineticsThermoCurveFit>,libMesh::Real> > & thermo,
                                   thermo_type<Antioch::IdealGasMicroThermo<Antioch::NASAEvaluator<libMesh::Real,KineticsThermoCurveFit>,libMesh::Real> > )
    {
      _nasa_evaluator.reset( new Antioch::NASAEvaluator<libMesh::Real,KineticsThermoCurveFit>(this->nasa_mixture()) );
      thermo.reset( new Antioch::IdealGasMicroThermo<Antioch::NASAEvaluator<libMesh::Real,KineticsThermoCurveFit>, libMesh::Real>( *_nasa_evaluator, *(this->_antioch_gas.get()) ) );
    }

    void specialized_build_viscosity( const GetPot& input,
                                      const std::string& material,
                                      libMesh::UniquePtr<Antioch::MixtureViscosity<Antioch::SutherlandViscosity<libMesh::Real>,libMesh::Real> > & viscosity,
                                      viscosity_type<Antioch::SutherlandViscosity<libMesh::Real> > )
    {
      viscosity.reset( new Antioch::MixtureViscosity<Antioch::SutherlandViscosity<libMesh::Real>,libMesh::Real>(*(_trans_mixture.get())) );

      std::string sutherland_data = input("Materials/"+material+"/GasMixture/Antioch/sutherland_data", "default");
      if( sutherland_data == "default" )
        sutherland_data = Antioch::DefaultInstallFilename::sutherland_data();

      Antioch::read_sutherland_data_ascii( *(viscosity.get()), sutherland_data );
    }

    void specialized_build_viscosity( const GetPot& input,
                                      const std::string& material,
                                      libMesh::UniquePtr<Antioch::MixtureViscosity<Antioch::BlottnerViscosity<libMesh::Real>,libMesh::Real> > & viscosity,
                                      viscosity_type<Antioch::BlottnerViscosity<libMesh::Real> > )
    {
      viscosity.reset( new Antioch::MixtureViscosity<Antioch::BlottnerViscosity<libMesh::Real>,libMesh::Real>(*(_trans_mixture.get())) );

      std::string blottner_data = input("Materials/"+material+"/GasMixture/Antioch/blottner_data", "default");
      if( blottner_data == "default" )
        blottner_data = Antioch::DefaultInstallFilename::blottner_data();

      Antioch::read_blottner_data_ascii( *(viscosity.get()), blottner_data );
    }

#ifdef ANTIOCH_HAVE_GSL
    void specialized_build_viscosity( const GetPot& /*input*/,
                                      const std::string& /*material*/,
                                      libMesh::UniquePtr<Antioch::MixtureViscosity<Antioch::KineticsTheoryViscosity<libMesh::Real,Antioch::GSLSpliner>,libMesh::Real> > & viscosity,
                                      viscosity_type<Antioch::KineticsTheoryViscosity<libMesh::Real,Antioch::GSLSpliner> > )
    {
      viscosity.reset( new Antioch::MixtureViscosity<Antioch::KineticsTheoryViscosity<libMesh::Real,Antioch::GSLSpliner>,libMesh::Real>(*(_trans_mixture.get())) );

      Antioch::build_kinetics_theory_viscosity<libMesh::Real,Antioch::GSLSpliner>( *(viscosity.get()) );
    }
#endif // ANTIOCH_HAVE_GSL

    void specialized_build_conductivity( libMesh::UniquePtr<Antioch::MixtureConductivity<Antioch::EuckenThermalConductivity<Thermo>,libMesh::Real> > & conductivity,
                                         conductivity_type<Antioch::EuckenThermalConductivity<Thermo> > )
    {
      conductivity.reset( new Antioch::MixtureConductivity<Antioch::EuckenThermalConductivity<Thermo>,libMesh::Real>(*(_trans_mixture.get())) );
      Antioch::build_eucken_thermal_conductivity<Thermo,libMesh::Real>(*(conductivity.get()),*(_thermo.get()));
      return;
    }

#ifdef ANTIOCH_HAVE_GSL
    void specialized_build_conductivity( libMesh::UniquePtr<Antioch::MixtureConductivity<Antioch::KineticsTheoryThermalConductivity<Thermo,libMesh::Real>,libMesh::Real> > & conductivity,
                                         conductivity_type<Antioch::KineticsTheoryThermalConductivity<Thermo,libMesh::Real> > )
    {
      conductivity.reset( new Antioch::MixtureConductivity<Antioch::KineticsTheoryThermalConductivity<Thermo,libMesh::Real>,libMesh::Real>(*(_trans_mixture.get())) );

      Antioch::build_kinetics_theory_thermal_conductivity<Thermo,libMesh::Real>( *(conductivity.get()), *(_thermo.get()) );
    }
#endif // ANTIOCH_HAVE_GSL

    void specialized_build_diffusivity( const GetPot& input,
                                        const std::string& material,
                                        libMesh::UniquePtr<Antioch::MixtureDiffusion<Antioch::ConstantLewisDiffusivity<libMesh::Real>,libMesh::Real> > & diffusivity,
                                        diffusivity_type<Antioch::ConstantLewisDiffusivity<libMesh::Real> > )
    {
      libMesh::Real Le = MaterialsParsing::parse_lewis_number(input,material);

      diffusivity.reset( new Antioch::MixtureDiffusion<Antioch::ConstantLewisDiffusivity<libMesh::Real>,libMesh::Real>(*(_trans_mixture.get())) );

      Antioch::build_constant_lewis_diffusivity<libMesh::Real>( *(diffusivity.get()), Le);
      return;
    }

#ifdef ANTIOCH_HAVE_GSL
    void specialized_build_diffusivity( const GetPot& /*input*/,
                                        const std::string& /*material*/,
                                        libMesh::UniquePtr<Antioch::MixtureDiffusion<Antioch::MolecularBinaryDiffusion<libMesh::Real,Antioch::GSLSpliner>,libMesh::Real> > & diffusivity,
                                        diffusivity_type<Antioch::MolecularBinaryDiffusion<libMesh::Real,Antioch::GSLSpliner> > )
    {
      diffusivity.reset( new Antioch::MixtureDiffusion<Antioch::MolecularBinaryDiffusion<libMesh::Real,Antioch::GSLSpliner>,libMesh::Real>(*(_trans_mixture.get())) );
    }
#endif // ANTIOCH_HAVE_GSL

  };

  /* ------------------------- Inline Functions -------------------------*/
  template<typename KT, typename T, typename V, typename C, typename D>
  inline
  const Antioch::MixtureAveragedTransportMixture<libMesh::Real>&
  AntiochMixtureAveragedTransportMixture<KT,T,V,C,D>::wilke_mixture() const
  {
    return *(_wilke_mixture.get());
  }

  template<typename KT, typename T, typename V, typename C, typename D>
  inline
  const Antioch::MixtureViscosity<V,libMesh::Real>&
  AntiochMixtureAveragedTransportMixture<KT,T,V,C,D>::viscosity() const
  {
    return *_viscosity.get();
  }

  template<typename KT, typename T, typename V, typename C, typename D>
  inline
  const Antioch::MixtureConductivity<C,libMesh::Real>&
  AntiochMixtureAveragedTransportMixture<KT,T,V,C,D>::conductivity() const
  {
    return *_conductivity.get();
  }

  template<typename KT, typename T, typename V, typename C, typename D>
  inline
  const Antioch::MixtureDiffusion<D,libMesh::Real>&
  AntiochMixtureAveragedTransportMixture<KT,T,V,C,D>::diffusivity() const
  {
    return *_diffusivity.get();
  }

} // end namespace GRINS

#endif // GRINS_HAVE_ANTIOCH

#endif // GRINS_WILKE_ANTIOCH_TRANSPORT_MIXTURE_H