cantera_transport.C

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//-----------------------------------------------------------------------bl-
//--------------------------------------------------------------------------
//
// GRINS - General Reacting Incompressible Navier-Stokes
//
// Copyright (C) 2014-2015 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-


#include "grins_config.h"

#ifdef GRINS_HAVE_CANTERA

// This class
#include "grins/cantera_transport.h"

// GRINS
#include "grins/cached_values.h"
#include "grins/cantera_mixture.h"

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

// Cantera (with compiler warnings disabled)
#include "libmesh/ignore_warnings.h"
#include "cantera/IdealGasMix.h"
#include "cantera/transport.h"
#include "libmesh/restore_warnings.h"

namespace GRINS
{

  CanteraTransport::CanteraTransport( CanteraMixture& mixture )
    : _cantera_gas( mixture.get_chemistry() ),
      _cantera_transport( mixture.get_transport() )
  {
    return;
  }

  CanteraTransport::~CanteraTransport()
  {
    return;
  }

  libMesh::Real CanteraTransport::mu( const CachedValues& cache, unsigned int qp ) const
  {
    const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
    const libMesh::Real P = cache.get_cached_values(Cache::THERMO_PRESSURE)[qp];
    const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];

    libmesh_assert_equal_to( Y.size(), _cantera_gas.nSpecies() );

    libMesh::Real mu = 0.0;

    {
      libMesh::Threads::spin_mutex::scoped_lock lock(cantera_mutex);
    
      try
        {
          _cantera_gas.setState_TPY(T, P, &Y[0]);
          mu =  _cantera_transport.viscosity();
        }
      catch(Cantera::CanteraError)
        {
          Cantera::showErrors(std::cerr);
          libmesh_error();
        }

    }

    return mu;
  }

  libMesh::Real CanteraTransport::k( const CachedValues& cache, unsigned int qp ) const
  {
    const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
    const libMesh::Real P = cache.get_cached_values(Cache::THERMO_PRESSURE)[qp];
    const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];

    libmesh_assert_equal_to( Y.size(), _cantera_gas.nSpecies() );

    libMesh::Real k = 0.0;

    {
      libMesh::Threads::spin_mutex::scoped_lock lock(cantera_mutex);
    
      try
        {
          _cantera_gas.setState_TPY(T, P, &Y[0]);
          k =  _cantera_transport.thermalConductivity();
        }
      catch(Cantera::CanteraError)
        {
          Cantera::showErrors(std::cerr);
          libmesh_error();
        }

    }

    return k;
  }

  void CanteraTransport::D( const CachedValues& cache, unsigned int qp,
                            std::vector<libMesh::Real>& D ) const
  {
    const libMesh::Real T = cache.get_cached_values(Cache::TEMPERATURE)[qp];
    const libMesh::Real P = cache.get_cached_values(Cache::THERMO_PRESSURE)[qp];
    const std::vector<libMesh::Real>& Y = cache.get_cached_vector_values(Cache::MASS_FRACTIONS)[qp];

    libmesh_assert_equal_to( Y.size(), D.size() );
    libmesh_assert_equal_to( Y.size(), _cantera_gas.nSpecies() );

    {
      libMesh::Threads::spin_mutex::scoped_lock lock(cantera_mutex);
    
      try
        {
          _cantera_gas.setState_TPY(T, P, &Y[0]);
          _cantera_transport.getMixDiffCoeffsMass(&D[0]);
        }
      catch(Cantera::CanteraError)
        {
          Cantera::showErrors(std::cerr);
          libmesh_error();
        }

    }

    return;
  }

} // namespace GRINS

#endif //GRINS_HAVE_CANTERA