Region2.hpp

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// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
/*
  Copyright (C) 2009-2013 by Andreas Lauser
  Copyright (C) 2010 by Felix Bode

  This file is part of the Open Porous Media project (OPM).

  OPM is free software: you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published by
  the Free Software Foundation, either version 2 of the License, or
  (at your option) any later version.

  OPM 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 General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with OPM.  If not, see <http://www.gnu.org/licenses/>.
*/
#ifndef OPM_IAPWS_REGION2_HPP
#define OPM_IAPWS_REGION2_HPP

#include <opm/material/common/MathToolbox.hpp>

#include <cmath>

namespace Opm {
namespace IAPWS {
template <class Scalar>
class Region2
{
public:
    template <class Evaluation>
    static bool isValid(const Evaluation& temperature, const Evaluation& pressure)
    {
        return
            temperature <= 623.15 && pressure <= 100e6;

        // actually this is:
        /*
          return
          (273.15 <= temperature && temperature <= 623.15 && pressure <= vaporPressure(temperature)) ||
          (623.15 < temperature && temperature <= 863.15 && pressure <= auxPressure(temperature)) ||
          (863.15 < temperature && temperature <= 1073.15 && pressure < 100e6);
        */
    }

    template <class Evaluation>
    static Evaluation tau(const Evaluation& temperature)
    { return 540.0 / temperature; }

    template <class Evaluation>
    static Evaluation dtau_dT(const Evaluation& temperature)
    { return - 540.0 / (temperature*temperature); }

    template <class Evaluation>
    static Evaluation pi(const Evaluation& pressure)
    { return pressure / 1e6; }

    template <class Evaluation>
    static Scalar dpi_dp(const Evaluation& /*pressure*/)
    { return 1.0 / 1e6; }

    template <class Evaluation>
    static Evaluation dp_dpi(const Evaluation& /*pressure*/)
    { return 1e6; }

    template <class Evaluation>
    static Evaluation gamma(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature); /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);      /* reduced pressure */

        Evaluation result;

        // ideal gas part
        result = Toolbox::ln(pi_);
        for (int i = 0; i < 9; ++i)
            result += n_g(i)*Toolbox::pow(tau_, J_g(i));

        // residual part
        for (int i = 0; i < 43; ++i)
            result +=
                n_r(i)*
                Toolbox::pow(pi_, I_r(i))*
                Toolbox::pow(tau_ - 0.5, J_r(i));
        return result;
    }

    template <class Evaluation>
    static Evaluation dgamma_dtau(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature);   /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);    /* reduced pressure */

        // ideal gas part
        Evaluation result = Toolbox::createConstant(0.0);
        for (int i = 0; i < 9; i++) {
            result +=
                n_g(i) *
                J_g(i) *
                Toolbox::pow(tau_, static_cast<Scalar>(J_g(i) - 1));
        }

        // residual part
        for (int i = 0; i < 43; i++) {
            result +=
                n_r(i) *
                Toolbox::pow(pi_,  static_cast<Scalar>(I_r(i))) *
                J_r(i) *
                Toolbox::pow(tau_ - 0.5, static_cast<Scalar>(J_r(i) - 1));
        }

        return result;
    }

    template <class Evaluation>
    static Evaluation dgamma_dpi(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature);   /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);    /* reduced pressure */

        // ideal gas part
        Evaluation result = 1/pi_;

        // residual part
        for (int i = 0; i < 43; i++) {
            result +=
                n_r(i) *
                I_r(i) *
                Toolbox::pow(pi_, static_cast<Scalar>(I_r(i) - 1)) *
                Toolbox::pow(tau_ - 0.5, static_cast<Scalar>(J_r(i)));
        }

        return result;
    }

    template <class Evaluation>
    static Evaluation ddgamma_dtaudpi(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature);   /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);    /* reduced pressure */

        // ideal gas part
        Evaluation result = Toolbox::createConstant(0.0);

        // residual part
        for (int i = 0; i < 43; i++) {
            result +=
                n_r(i) *
                I_r(i) *
                J_r(i) *
                Toolbox::pow(pi_, static_cast<Scalar>(I_r(i) - 1)) *
                Toolbox::pow(tau_ - 0.5, static_cast<Scalar>(J_r(i) - 1));
        }

        return result;
    }

    template <class Evaluation>
    static Evaluation ddgamma_ddpi(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature);   /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);    /* reduced pressure */

        // ideal gas part
        Evaluation result = -1/(pi_*pi_);

        // residual part
        for (int i = 0; i < 43; i++) {
            result +=
                n_r(i) *
                I_r(i) *
                (I_r(i) - 1) *
                Toolbox::pow(pi_, static_cast<Scalar>(I_r(i) - 2)) *
                Toolbox::pow(tau_ - 0.5, static_cast<Scalar>(J_r(i)));
        }

        return result;
    }

    template <class Evaluation>
    static Evaluation ddgamma_ddtau(const Evaluation& temperature, const Evaluation& pressure)
    {
        typedef MathToolbox<Evaluation> Toolbox;

        const Evaluation& tau_ = tau(temperature);   /* reduced temperature */
        const Evaluation& pi_ = pi(pressure);    /* reduced pressure */

        // ideal gas part
        Evaluation result = Toolbox::createConstant(0.0);
        for (int i = 0; i < 9; i++) {
            result +=
                n_g(i) *
                J_g(i) *
                (J_g(i) - 1) *
                Toolbox::pow(tau_, static_cast<Scalar>(J_g(i) - 2));
        }

        // residual part
        for (int i = 0; i < 43; i++) {
            result +=
                n_r(i) *
                Toolbox::pow(pi_,  I_r(i)) *
                J_r(i) *
                (J_r(i) - 1.) *
                Toolbox::pow(tau_ - 0.5, static_cast<Scalar>(J_r(i) - 2));
        }

        return result;
    }


private:
    static Scalar n_g(int i)
    {
        static const Scalar n[9] = {
            -0.96927686500217e1, 0.10086655968018e2, -0.56087911283020e-2,
            0.71452738081455e-1, -0.40710498223928, 0.14240819171444e1,
            -0.43839511319450e1, -0.28408632460772, 0.21268463753307e-1
        };
        return n[i];
    }

    static Scalar n_r(int i)
    {
        static const Scalar n[43] = {
            -0.17731742473213e-2, -0.17834862292358e-1, -0.45996013696365e-1,
            -0.57581259083432e-1, -0.50325278727930e-1, -0.33032641670203e-4,
            -0.18948987516315e-3, -0.39392777243355e-2, -0.43797295650573e-1,
            -0.26674547914087e-4, 0.20481737692309e-7, 0.43870667284435e-6,
            -0.32277677238570e-4, -0.15033924542148e-2, -0.40668253562649e-1,
            -0.78847309559367e-9, 0.12790717852285e-7, 0.48225372718507e-6,
            0.22922076337661e-5, -0.16714766451061e-10, -0.21171472321355e-2,
            -0.23895741934104e2, -0.59059564324270e-17, -0.12621808899101e-5,
            -0.38946842435739e-1, 0.11256211360459e-10, -0.82311340897998e1,
            0.19809712802088e-7, 0.10406965210174e-18, -0.10234747095929e-12,
            -0.10018179379511e-8, -0.80882908646985e-10, 0.10693031879409,
            -0.33662250574171, 0.89185845355421e-24, 0.30629316876232e-12,
            -0.42002467698208e-5, -0.59056029685639e-25, 0.37826947613457e-5,
            -0.12768608934681e-14, 0.73087610595061e-28, 0.55414715350778e-16,
            -0.94369707241210e-6
        };
        return n[i];
    }

    static Scalar I_r(int i)
    {
        static const short int I[43] = {
            1, 1, 1,
            1, 1, 2,
            2, 2, 2,
            2, 3, 3,
            3, 3, 3,
            4, 4, 4,
            5, 6, 6,
            6, 7, 7,
            7, 8, 8,
            9, 10, 10,
            10, 16, 16,
            18, 20, 20,
            20, 21, 22,
            23, 24, 24,
            24
        };
        return I[i];
    }

    static Scalar J_g(int i)
    {
        static const short int J[9] = {
            0, 1, -5,
            -4, -3, -2,
            -1, 2, 3
        };
        return J[i];
    }

    static Scalar J_r(int i)
    {
        static const short int J[43] = {
            0, 1, 2,
            3, 6, 1,
            2, 4, 7,
            36, 0, 1,
            3, 6, 35,
            1, 2, 3,
            7, 3, 16,
            35, 0, 11,
            25, 8, 36,
            13, 4, 10,
            14, 29, 50,
            57, 20, 35,
            48, 21, 53,
            39, 26, 40,
            58
        };
        return J[i];
    }

};

} // namespace IAPWS
} // namespace Opm

#endif