a6499a01aa
most of these people like to inflict pain on themselfs (i.e., warnings in their own code), but they usually don't like if pain is inflicted on them by others (i.e., warnings produced by external code which they use). This patch should make these kinds of people happy. I'm not really sure if the code is easier to understand with this, but at least clang does not complain for most of the warnings of "-Weverything" anymore.
346 lines
13 KiB
C++
346 lines
13 KiB
C++
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
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// vi: set et ts=4 sw=4 sts=4:
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/*
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Copyright (C) 2009-2013 by Andreas Lauser
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Copyright (C) 2010 by Felix Bode
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This file is part of the Open Porous Media project (OPM).
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OPM is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 2 of the License, or
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(at your option) any later version.
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OPM is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with OPM. If not, see <http://www.gnu.org/licenses/>.
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*/
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/*!
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* \file
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* \copydoc Opm::Mesitylene
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*/
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#ifndef OPM_MESITYLENE_HPP
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#define OPM_MESITYLENE_HPP
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#include <opm/material/IdealGas.hpp>
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#include <opm/material/components/Component.hpp>
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#include <opm/material/Constants.hpp>
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#include <opm/material/common/MathToolbox.hpp>
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namespace Opm {
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/*!
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* \ingroup Components
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* \brief Component for Mesitylene
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*
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* \tparam Scalar The type used for scalar values
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*/
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template <class Scalar>
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class Mesitylene : public Component<Scalar, Mesitylene<Scalar> >
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{
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typedef Opm::Constants<Scalar> Consts;
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public:
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/*!
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* \brief A human readable name for the mesitylene
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*/
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static const char *name()
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{ return "mesitylene"; }
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/*!
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* \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of mesitylene
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*/
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static Scalar molarMass()
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{ return 0.120; }
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/*!
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* \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of mesitylene
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*/
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static Scalar criticalTemperature()
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{ return 637.3; }
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/*!
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* \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of mesitylene
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*/
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static Scalar criticalPressure()
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{ return 31.3e5; }
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/*!
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* \brief Returns the temperature \f$\mathrm{[K]}\f$ at mesitylene's boiling point (1 atm).
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*/
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static Scalar boilingTemperature()
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{ return 437.9; }
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/*!
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* \brief Returns the temperature \f$\mathrm{[K]}\f$ at mesitylene's triple point.
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*/
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static Scalar tripleTemperature()
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{ OPM_THROW(std::runtime_error, "Not implemented: tripleTemperature for mesitylene"); }
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/*!
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* \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at mesitylene's triple point.
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*/
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static Scalar triplePressure()
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{ OPM_THROW(std::runtime_error, "Not implemented: triplePressure for mesitylene"); }
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/*!
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* \brief The saturation vapor pressure in \f$\mathrm{[Pa]}\f$ of
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* pure mesitylene at a given temperature according to
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* Antoine after Betz 1997, see Gmehling et al 1980
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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*/
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template <class Evaluation>
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static Evaluation vaporPressure(const Evaluation& temperature)
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{
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typedef MathToolbox<Evaluation> Toolbox;
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const Scalar A = 7.07638;
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const Scalar B = 1571.005;
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const Scalar C = 209.728;
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const Evaluation& T = temperature - 273.15;
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return 100 * 1.334 * Toolbox::pow(10.0, A - (B / (T + C)));
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}
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/*!
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* \brief Specific enthalpy of liquid mesitylene \f$\mathrm{[J/kg]}\f$.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation liquidEnthalpy(const Evaluation& temperature, const Evaluation& pressure)
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{
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// Gauss quadrature rule:
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// Interval: [0K; temperature (K)]
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// Gauss-Legendre-Integration with variable transformation:
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// \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
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// with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
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// here: a=0, b=actual temperature in Kelvin
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// \leadsto h(T) = \int_0^T c_p(T) dT
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// \approx 0.5 T * (cp( (0.5-0.5*\sqrt(1/3)) T) + cp((0.5+0.5*\sqrt(1/3)) T))
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// = 0.5 T * (cp(0.2113 T) + cp(0.7887 T) )
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// enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input
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return 0.5*temperature*(liquidHeatCapacity(0.2113*temperature, pressure) + liquidHeatCapacity(0.7887*temperature, pressure));
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}
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/*!
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* \brief Latent heat of vaporization for mesitylene \f$\mathrm{[J/kg]}\f$.
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*
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* source : Reid et al. (fourth edition): Chen method (chap. 7-11, Delta H_v = Delta H_v (T) according to chap. 7-12)
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation heatVap(const Evaluation& temperature, const Evaluation& /*pressure*/)
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{
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typedef MathToolbox<Evaluation> Toolbox;
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Evaluation T = Toolbox::min(temperature, criticalTemperature()); // regularization
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T = Toolbox::max(T, 0.0); // regularization
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const Scalar T_crit = criticalTemperature();
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const Scalar Tr1 = boilingTemperature()/criticalTemperature();
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const Scalar p_crit = criticalPressure();
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// Chen method, eq. 7-11.4 (at boiling)
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const Scalar DH_v_boil =
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Consts::R * T_crit * Tr1
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* (3.978 * Tr1 - 3.958 + 1.555*std::log(p_crit * 1e-5 /*Pa->bar*/ ) )
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/ (1.07 - Tr1); /* [J/mol] */
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/* Variation with temp according to Watson relation eq 7-12.1*/
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const Evaluation& Tr2 = T/criticalTemperature();
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const Scalar n = 0.375;
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const Evaluation& DH_vap = DH_v_boil * Toolbox::pow(((1.0 - Tr2)/(1.0 - Tr1)), n);
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return (DH_vap/molarMass()); // we need [J/kg]
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}
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/*!
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* \brief Specific enthalpy of mesitylene vapor \f$\mathrm{[J/kg]}\f$.
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*
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* This relation is true on the vapor pressure curve, i.e. as long
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* as there is a liquid phase present.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation gasEnthalpy(const Evaluation& temperature, const Evaluation& pressure)
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{
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return liquidEnthalpy(temperature,pressure) + heatVap(temperature, pressure);
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}
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/*!
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* \brief The density of pure mesitylene vapor at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation gasDensity(const Evaluation& temperature, const Evaluation& pressure)
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{ return IdealGas<Scalar>::density(Evaluation(molarMass()), temperature, pressure); }
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/*!
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* \brief The density of pure mesitylene at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation liquidDensity(const Evaluation& temperature, const Evaluation& /*pressure*/)
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{ return molarLiquidDensity_(temperature)*molarMass(); }
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/*!
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* \brief Returns true iff the gas phase is assumed to be compressible
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*/
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static bool gasIsCompressible()
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{ return true; }
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/*!
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* \brief Returns true iff the gas phase is assumed to be ideal
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*/
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static bool gasIsIdeal()
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{ return true; }
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/*!
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* \brief Returns true iff the liquid phase is assumed to be compressible
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*/
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static bool liquidIsCompressible()
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{ return false; }
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/*!
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* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of mesitylene vapor
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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* \param regularize defines, if the functions is regularized or not, set to true by default
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*/
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template <class Evaluation>
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static Evaluation gasViscosity(Evaluation temperature, const Evaluation& /*pressure*/, bool /*regularize*/=true)
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{
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typedef MathToolbox<Evaluation> Toolbox;
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temperature = Toolbox::min(temperature, 500.0); // regularization
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temperature = Toolbox::max(temperature, 250.0);
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// reduced temperature
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const Evaluation& Tr = temperature/criticalTemperature();
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Scalar Fp0 = 1.0;
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Scalar xi = 0.00474;
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const Evaluation& eta_xi =
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Fp0*(0.807*Toolbox::pow(Tr,0.618)
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- 0.357*Toolbox::exp(-0.449*Tr)
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+ 0.34*Toolbox::exp(-4.058*Tr)
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+ 0.018);
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return eta_xi/xi/1e7; // [Pa s]
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}
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/*!
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* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure mesitylene.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*/
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template <class Evaluation>
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static Evaluation liquidViscosity(Evaluation temperature, const Evaluation& /*pressure*/)
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{
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typedef MathToolbox<Evaluation> Toolbox;
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temperature = Toolbox::min(temperature, 500.0); // regularization
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temperature = Toolbox::max(temperature, 250.0);
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const Scalar A = -6.749;
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const Scalar B = 2010.0;
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return Toolbox::exp(A + B/temperature)*1e-3; // [Pa s]
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}
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/*!
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* \brief Specific heat cap of liquid mesitylene \f$\mathrm{[J/kg]}\f$.
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*
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* source : Reid et al. (fourth edition): Missenard group contrib. method (chap 5-7, Table 5-11, s. example 5-8)
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
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*
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*/
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template <class Evaluation>
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static Evaluation liquidHeatCapacity(const Evaluation& temperature,
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const Evaluation& /*pressure*/)
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{
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/* according Reid et al. : Missenard group contrib. method (s. example 5-8) */
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/* Mesitylen: C9H12 : 3* CH3 ; 1* C6H5 (phenyl-ring) ; -2* H (this was to much!) */
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/* linear interpolation between table values [J/(mol K)]*/
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Evaluation H, CH3, C6H5;
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if(temperature<298.) {
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// extrapolation for temperature < 273K
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H = 13.4 + 1.2*(temperature-273.0)/25.; // 13.4 + 1.2 = 14.6 = H(T=298K) i.e. interpolation of table values 273<T<298
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CH3 = 40.0 + 1.6*(temperature-273.0)/25.; // 40 + 1.6 = 41.6 = CH3(T=298K)
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C6H5 = 113.0 + 4.2*(temperature-273.0)/25.; // 113 + 4.2 =117.2 = C6H5(T=298K)
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}
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else if((temperature>=298.0)&&(temperature<323.)){ // i.e. interpolation of table values 298<T<323
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H = 14.6 + 0.9*(temperature-298.0)/25.;
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CH3 = 41.6 + 1.9*(temperature-298.0)/25.;
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C6H5 = 117.2 + 6.2*(temperature-298.0)/25.;
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}
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else if((temperature>=323.0)&&(temperature<348.)){// i.e. interpolation of table values 323<T<348
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H = 15.5 + 1.2*(temperature-323.0)/25.;
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CH3 = 43.5 + 2.3*(temperature-323.0)/25.;
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C6H5 = 123.4 + 6.3*(temperature-323.0)/25.;
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}
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else {
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assert(temperature>=348.0);
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// extrapolation for temperature > 373K
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H = 16.7+2.1*(temperature-348.0)/25.; // probably leads to underestimates
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CH3 = 45.8+2.5*(temperature-348.0)/25.;
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C6H5 = 129.7+6.3*(temperature-348.0)/25.;
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}
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return (C6H5 + 3*CH3 - 2*H)/molarMass(); // J/(mol K) -> J/(kg K)
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}
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protected:
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/*!
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* \brief The molar density of pure mesitylene at a given pressure and temperature
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* \f$\mathrm{[mol/m^3]}\f$.
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*
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* source : Reid et al. (fourth edition): Modified Racket technique (chap. 3-11, eq. 3-11.9)
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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*/
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template <class Evaluation>
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static Evaluation molarLiquidDensity_(Evaluation temperature)
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{
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typedef MathToolbox<Evaluation> Toolbox;
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temperature = Toolbox::min(temperature, 500.0); // regularization
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temperature = Toolbox::max(temperature, 250.0);
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const Scalar Z_RA = 0.2556; // from equation
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const Evaluation& expo = 1.0 + Toolbox::pow(1.0 - temperature/criticalTemperature(), 2.0/7.0);
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const Evaluation& V = Consts::R*criticalTemperature()/criticalPressure()*Toolbox::pow(Z_RA, expo); // liquid molar volume [cm^3/mol]
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return 1.0/V; // molar density [mol/m^3]
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}
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};
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} // namespace Opm
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#endif
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