PengRobinsonEoS.h

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///////////////////////////////////////////////////////////////////////////////
//
// File: PengRobinsonEoS.h
//
// For more information, please see: http://www.nektar.info
//
// The MIT License
//
// Copyright (c) 2006 Division of Applied Mathematics, Brown University (USA),
// Department of Aeronautics, Imperial College London (UK), and Scientific
// Computing and Imaging Institute, University of Utah (USA).
//
// Permission is hereby granted, free of charge, to any person obtaining a
// copy of this software and associated documentation files (the "Software"),
// to deal in the Software without restriction, including without limitation
// the rights to use, copy, modify, merge, publish, distribute, sublicense,
// and/or sell copies of the Software, and to permit persons to whom the
// Software is furnished to do so, subject to the following conditions:
//
// The above copyright notice and this permission notice shall be included
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// OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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//
// Description: Peng-Robinson equation of state
//
///////////////////////////////////////////////////////////////////////////////

#ifndef NEKTAR_SOLVERS_COMPRESSIBLEFLOWSOLVER_MISC_PENGROBINSONEOS
#define NEKTAR_SOLVERS_COMPRESSIBLEFLOWSOLVER_MISC_PENGROBINSONEOS

#include "EquationOfState.h"

namespace Nektar
{

/**
* @brief Peng-Robinson equation of state:
 *       p = RT/(1/rho - b) - a*Alpha(T/Tc) / (1/rho^2 + 2*b/rho - b^2)
 *       with a = 0.45724 * (R*Tc)^2 / Pc
 *            b = 0.0778 * (R*Tc) / Pc
 *            Alpha(T/Tc) = [1 + fw * (1 - sqrt(T/ Tc))]^2
 *            fw = 0.37464 + 1.54226*omega - 0.2699*omega*omega
*/
class PengRobinsonEoS : public EquationOfState
{
public:
    friend class MemoryManager<PengRobinsonEoS>;

    /// Creates an instance of this class
    static EquationOfStateSharedPtr create(
        const LibUtilities::SessionReaderSharedPtr &pSession)
    {
        EquationOfStateSharedPtr p =
            MemoryManager<PengRobinsonEoS>::AllocateSharedPtr(pSession);
        return p;
    }

    /// Name of the class
    static std::string className;

protected:
    NekDouble m_a;
    NekDouble m_b;
    NekDouble m_Tc;
    NekDouble m_Pc;
    NekDouble m_omega;
    NekDouble m_fw;

    virtual NekDouble v_GetTemperature(const NekDouble &rho,
                                       const NekDouble &e);

    virtual NekDouble v_GetPressure(const NekDouble &rho, const NekDouble &e);

    virtual NekDouble v_GetEntropy(const NekDouble &rho, const NekDouble &e);

    virtual NekDouble v_GetDPDrho_e(const NekDouble &rho, const NekDouble &e);

    virtual NekDouble v_GetDPDe_rho(const NekDouble &rho, const NekDouble &e);

    virtual NekDouble v_GetEFromRhoP(const NekDouble &rho, const NekDouble &p);

    virtual NekDouble v_GetRhoFromPT(const NekDouble &rho, const NekDouble &p);

private:
    PengRobinsonEoS(const LibUtilities::SessionReaderSharedPtr &pSession);

    virtual ~PengRobinsonEoS(void){};

    // Alpha term of Peng-Robinson EoS
    NekDouble Alpha(const NekDouble &T);

    // Log term term of Peng-Robinson EoS
    NekDouble LogTerm(const NekDouble &rho);
};
}

#endif