thermochem_test_common.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_THERMOCHEM_TEST_COMMON_H
#define GRINS_THERMOCHEM_TEST_COMMON_H

#include "grins_config.h"

#ifdef GRINS_HAVE_CPPUNIT

#include <cppunit/extensions/HelperMacros.h>

#include <vector>

#include "libmesh/libmesh_common.h"

namespace GRINSTesting
{
  class ThermochemTestCommon
  {
  public:

    static libMesh::Real compute_mass_frac_mixture_prop( const std::vector<libMesh::Real>& properties,
                                                         const std::vector<libMesh::Real>& mass_fracs )
    {
      CPPUNIT_ASSERT_EQUAL( properties.size(), mass_fracs.size() );

      unsigned int size = properties.size();

      libMesh::Real mixed_value = 0.0;
      for( unsigned int s = 0; s < size; s++ )
        mixed_value += mass_fracs[s]*properties[s];

      return mixed_value;
    }

    static libMesh::Real arrhenius_rate( libMesh::Real A, /* preexponential */
                                         libMesh::Real b, /* temp. exponent */
                                         libMesh::Real Ea, /* Activation energy */
                                         libMesh::Real T )
    {
      libMesh::Real RT = GRINS::Constants::R_universal*T;

      return A*std::pow(T,b)*std::exp(-Ea/RT);
    }

    static libMesh::Real compute_third_body_molar_density( const std::vector<libMesh::Real>& molar_densities,
                                                           const std::vector<libMesh::Real>& three_body_efficiencies )
    {
      CPPUNIT_ASSERT_EQUAL( molar_densities.size(), three_body_efficiencies.size() );

      libMesh::Real M = 0.0;

      for(unsigned int s = 0; s < molar_densities.size(); s++ )
        M += molar_densities[s]*three_body_efficiencies[s];

      return M;
    }

    static libMesh::Real nasa7_cp_R_exact( libMesh::Real T,
                                           libMesh::Real a0, libMesh::Real a1, libMesh::Real a2,
                                           libMesh::Real a3, libMesh::Real a4 )
    {
      return a0 + a1*T + a2*T*T + a3*T*T*T + a4*(T*T*T*T);
    }

    static libMesh::Real nasa7_h_RT_exact( libMesh::Real T,
                                           libMesh::Real a0, libMesh::Real a1, libMesh::Real a2,
                                           libMesh::Real a3, libMesh::Real a4, libMesh::Real a5 )
    {
      return a0 + a1/2.0*T + a2/3.0*T*T + a3/4.0*T*T*T + a4/5.0*(T*T*T*T) + a5/T;
    }

    static libMesh::Real nasa7_s_R_exact( libMesh::Real T,
                                          libMesh::Real a0, libMesh::Real a1, libMesh::Real a2,
                                          libMesh::Real a3, libMesh::Real a4, libMesh::Real a6 )
    {
      return a0*std::log(T) + a1*T + a2/2.0*T*T + a3/3.0*T*T*T + a4/4.0*(T*T*T*T) + a6;
    }

    static libMesh::Real nasa9_cp_R_exact( libMesh::Real T,
                                           libMesh::Real a0, libMesh::Real a1, libMesh::Real a2,
                                           libMesh::Real a3, libMesh::Real a4, libMesh::Real a5, libMesh::Real a6 )
    {
      return a0/(T*T) + a1/T + a2 + a3*T + a4*(T*T) + a5*(T*T*T) + a6*(T*T*T*T);
    }

    static libMesh::Real nasa9_h_RT_exact( libMesh::Real T,
                                           libMesh::Real a0, libMesh::Real a1, libMesh::Real a2, libMesh::Real a3,
                                           libMesh::Real a4, libMesh::Real a5, libMesh::Real a6, libMesh::Real a7 )
    {
      return -a0/(T*T) + a1*std::log(T)/T + a2 + a3*T/2.0 + a4*(T*T)/3.0
        + a5*(T*T*T)/4.0 + a6*(T*T*T*T)/5.0 + a7/T;
    }

    static libMesh::Real nasa9_s_R_exact( libMesh::Real T,
                                          libMesh::Real a0, libMesh::Real a1, libMesh::Real a2, libMesh::Real a3,
                                          libMesh::Real a4, libMesh::Real a5, libMesh::Real a6, libMesh::Real a8 )
    {
      return -a0/(2.*T*T) - a1/T + a2*std::log(T) + a3*T + a4*(T*T)/2.0
        + a5*(T*T*T)/3.0 + a6*(T*T*T*T)/4.0 + a8;
    }

  };

} // end namespace GRINSTesting

#endif // GRINS_HAVE_CPPUNIT

#endif // GRINS_THERMOCHEM_TEST_COMMON_H