absorption_coeff.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_ABSORPTION_COEFF_H
#define GRINS_ABSORPTION_COEFF_H

// libMesh
#include "libmesh/fem_function_base.h"
#include "libmesh/auto_ptr.h"

// GRINS
#include "grins/assembly_context.h"
#include "grins/hitran.h"
#include "grins/single_variable.h"
#include "grins/multicomponent_variable.h"
#include "grins/variable_warehouse.h"
#include "grins/fem_function_and_derivative_base.h"

namespace GRINS
{
  template<typename Chemistry>
  class AbsorptionCoeff : public FEMFunctionAndDerivativeBase<libMesh::Real>
  {
  public:

    AbsorptionCoeff(SharedPtr<Chemistry> & chem, SharedPtr<HITRAN> & hitran,
                    libMesh::Real nu_min, libMesh::Real nu_max,
                    libMesh::Real desired_nu, const std::string & species,
                    libMesh::Real thermo_pressure);

    virtual libMesh::Real operator()(const libMesh::FEMContext & context, const libMesh::Point & qp_xyz, const libMesh::Real t);

    virtual void operator()( const libMesh::FEMContext & context,
                             const libMesh::Point & p,
                             const libMesh::Real time,
                             libMesh::DenseVector<libMesh::Real> & output);

    virtual void derivatives( libMesh::FEMContext & context,
                              const libMesh::Point & qp_xyz,
                              const libMesh::Real & JxW,
                              const unsigned int qoi_index,
                              const libMesh::Real time);

    virtual libMesh::UniquePtr<libMesh::FEMFunctionBase<libMesh::Real> > clone() const;

  protected:
    SharedPtr<Chemistry> _chemistry;

    SharedPtr<HITRAN> _hitran;

    libMesh::Real _nu;

    PrimitiveTempFEVariables & _T_var;
    PressureFEVariable & _P_var;
    SpeciesMassFractionsVariable & _Y_var;

    libMesh::Real _T0;

    libMesh::Real _Pref;

    libMesh::Real _rad_coeff;

    unsigned int _min_index;

    unsigned int _max_index;

    libMesh::Real _thermo_pressure;

    bool _calc_thermo_pressure;

    unsigned int _species_idx;

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

    libMesh::Real kv(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_kv_dT(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_kv_dP(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_kv_dY(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real Sw(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real dS_dT(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real dS_dP(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real nu_D(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real d_nuD_dT(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real d_nuD_dP(libMesh::Real T, unsigned int i);

    libMesh::Real nu_C(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_nuC_dT(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_nuC_dP(libMesh::Real T, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_nuC_dY(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);


    libMesh::Real voigt(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_dT(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_dP(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_dY(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    void init_voigt();

    libMesh::Real voigt_a(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_a_dT(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_a_dP(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real d_voigt_a_dY(libMesh::Real T, libMesh::Real P, std::vector<libMesh::Real> Y, unsigned int i);

    libMesh::Real voigt_w(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real d_voigt_w_dT(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real d_voigt_w_dP(libMesh::Real T, libMesh::Real P, unsigned int i);

    libMesh::Real get_nu(libMesh::Real P, unsigned int i);

    libMesh::Real d_nu_dP(unsigned int i);

    libMesh::Real dX_dY(std::vector<libMesh::Real> Y);

    libMesh::Real dQ_dT(libMesh::Real T, unsigned int iso);

    AbsorptionCoeff();
  };

}
#endif //GRINS_ABSORPTION_COEFF_H