868531e414
Extrapolate liquidDensity for unreasonable pressure/temperature (Brine) and in UniformTabulated2DFunction. In the current code the interpolation actually already works if the values are outside of the tabulated region. With this change there is now an additional function parameter If it is true we will interpolate for every value instead of throwing and aborting (was the case always before).
432 lines
15 KiB
C++
432 lines
15 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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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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Consult the COPYING file in the top-level source directory of this
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module for the precise wording of the license and the list of
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copyright holders.
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*/
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/*!
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* \file
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* \copydoc Opm::SimpleHuDuanH2O
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*/
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#ifndef OPM_SIMPLE_HU_DUAN_H2O_HPP
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#define OPM_SIMPLE_HU_DUAN_H2O_HPP
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#include "Component.hpp"
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#include "iapws/Common.hpp"
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#include <opm/material/IdealGas.hpp>
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#include <opm/material/common/MathToolbox.hpp>
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#include <opm/material/common/Unused.hpp>
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#if HAVE_OPM_COMMON
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#include <opm/common/OpmLog/OpmLog.hpp>
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#else
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#include <iostream>
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#endif
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#include <cmath>
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namespace Opm {
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/*!
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* \ingroup Components
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*
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* \brief A simple version of pure water with density from Hu et al.
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*
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* Compared to the water formulation of IAPWS'97, this class provides
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* a much simpler component that represents the thermodynamic
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* properties of pure water. This implies that the likelyhood for
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* bugs in this class is reduced and the numerical performance is
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* increased. (At the cost of accuracy for the representation of the
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* physical quantities, of course.)
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*
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* Density from Hu, Duan, Zhu and Chou: PVTx properties of the CO2-H2O and CO2-H2O-NaCl
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* systems below 647 K: Assessment of experimental data and
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* thermodynamics models, Chemical Geology, 2007.
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*
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* \tparam Scalar The type used for representing scalar values
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*/
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template <class Scalar>
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class SimpleHuDuanH2O : public Component<Scalar, SimpleHuDuanH2O<Scalar> >
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{
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typedef ::Opm::IdealGas<Scalar> IdealGas;
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typedef IAPWS::Common<Scalar> Common;
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static const Scalar R; // specific gas constant of water
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public:
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/*!
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* \brief A human readable name for the water.
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*/
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static const char* name()
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{ return "H2O"; }
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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 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 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 The molar mass in \f$\mathrm{[kg/mol]}\f$ of water.
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*/
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static Scalar molarMass()
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{ return 18e-3; }
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/*!
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* \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of water.
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*/
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static Scalar criticalTemperature()
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{ return 647.096; /* [K] */ }
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/*!
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* \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of water.
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*/
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static Scalar criticalPressure()
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{ return 22.064e6; /* [N/m^2] */ }
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/*!
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* \brief Returns the temperature \f$\mathrm{[K]}\f$ at water's triple point.
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*/
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static Scalar tripleTemperature()
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{ return 273.16; /* [K] */ }
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/*!
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* \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at water's triple point.
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*/
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static Scalar triplePressure()
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{ return 611.657; /* [N/m^2] */ }
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/*!
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* \brief The vapor pressure in \f$\mathrm{[Pa]}\f$ of pure water
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* at a given temperature.
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*
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*\param T temperature of component in \f$\mathrm{[K]}\f$
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*
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* See:
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*
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* IAPWS: "Revised Release on the IAPWS Industrial Formulation
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* 1997 for the Thermodynamic Properties of Water and Steam",
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* http://www.iapws.org/relguide/IF97-Rev.pdf
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*/
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template <class Evaluation>
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static Evaluation vaporPressure(const Evaluation& T)
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{
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if (T > criticalTemperature())
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return criticalPressure();
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if (T < tripleTemperature())
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return 0; // water is solid: We don't take sublimation into account
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static const Scalar n[10] = {
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0.11670521452767e4, -0.72421316703206e6, -0.17073846940092e2,
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0.12020824702470e5, -0.32325550322333e7, 0.14915108613530e2,
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-0.48232657361591e4, 0.40511340542057e6, -0.23855557567849,
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0.65017534844798e3
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};
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Evaluation sigma = T + n[8]/(T - n[9]);
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Evaluation A = (sigma + n[0])*sigma + n[1];
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Evaluation B = (n[2]*sigma + n[3])*sigma + n[4];
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Evaluation C = (n[5]*sigma + n[6])*sigma + n[7];
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Evaluation tmp = 2.0*C/(sqrt(B*B - 4.0*A*C) - B);
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tmp *= tmp;
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tmp *= tmp;
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return 1e6*tmp;
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}
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/*!
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* \brief Specific enthalpy of water steam \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 gasEnthalpy(const Evaluation& temperature,
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const Evaluation& /*pressure*/)
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{ return 1.976e3*temperature + 40.65e3/molarMass(); }
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/*!
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* \copydoc Component::gasHeatCapacity
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*/
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template <class Evaluation>
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static Evaluation gasHeatCapacity(const Evaluation&,
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const Evaluation&)
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{ return 1.976e3; }
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/*!
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* \brief Specific enthalpy of liquid water \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,
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const Evaluation& /*pressure*/)
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{ return 4180*temperature; }
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/*!
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* \copydoc Component::liquidHeatCapacity
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*/
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template <class Evaluation>
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static Evaluation liquidHeatCapacity(const Evaluation&,
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const Evaluation&)
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{ return 4.184e3; }
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/*!
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* \brief Specific internal energy of steam \f$\mathrm{[J/kg]}\f$.
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*
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* Definition of enthalpy: \f$h= u + pv = u + p / \rho\f$.
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*
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* Rearranging for internal energy yields: \f$u = h - pv\f$.
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*
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* Exploiting the Ideal Gas assumption (\f$pv = R_{\textnormal{specific}} T\f$)gives: \f$u = h - R / M T \f$.
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*
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* The universal gas constant can only be used in the case of molar formulations.
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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 gasInternalEnergy(const Evaluation& temperature,
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const Evaluation& pressure)
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{
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return
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gasEnthalpy(temperature, pressure) -
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1/molarMass()* // conversion from [J/(mol K)] to [J/(kg K)]
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IdealGas::R*temperature; // = pressure *spec. volume for an ideal gas
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}
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/*!
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* \brief Specific internal energy of liquid water \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 liquidInternalEnergy(const Evaluation& temperature,
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const Evaluation& pressure)
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{
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return
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liquidEnthalpy(temperature, pressure) -
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pressure/liquidDensity(temperature, pressure);
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}
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/*!
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* \brief Specific heat conductivity of liquid water \f$\mathrm{[W/(m K)]}\f$.
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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 liquidThermalConductivity(const Evaluation& /*temperature*/,
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const Evaluation& /*pressure*/)
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{
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return 0.578078; // conductivity of liquid water [W / (m K ) ] IAPWS evaluated at p=.1 MPa, T=8°C
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}
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/*!
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* \brief Specific heat conductivity of steam \f$\mathrm{[W/(m K)]}\f$.
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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 gasThermalConductivity(const Evaluation& /*temperature*/,
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const Evaluation& /*pressure*/)
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{
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return 0.028224; // conductivity of steam [W / (m K ) ] IAPWS evaluated at p=.1 MPa, T=8°C
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}
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/*!
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* \brief The density \f$\mathrm{[kg/m^3]}\f$ of steam at a given pressure and temperature.
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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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{
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// Assume an ideal gas
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return molarMass()*IdealGas::molarDensity(temperature, pressure);
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}
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/*!
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* \brief The pressure of steam in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param density density of component in \f$\mathrm{[kg/m^3]}\f$
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*/
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template <class Evaluation>
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static Evaluation gasPressure(const Evaluation& temperature, const Evaluation& density)
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{
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// Assume an ideal gas
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return IdealGas::pressure(temperature, density/molarMass());
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}
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/*!
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* \brief The density of pure water 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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* \param extrapolate Whether to extrapolate for untabulated/unreasonable
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* values. If false an exception might be thrown.
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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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bool extrapolate)
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{
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return liquidDensity_(temperature, pressure, extrapolate);
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}
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/*!
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* \brief The pressure of water in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
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*
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* \param temperature temperature of component in \f$\mathrm{[K]}\f$
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* \param density density of component in \f$\mathrm{[kg/m^3]}\f$
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*/
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template <class Evaluation>
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static Evaluation liquidPressure(const Evaluation& /*temperature*/, const Evaluation& /*density*/)
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{
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throw std::logic_error("The liquid pressure is undefined for incompressible fluids");
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}
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/*!
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* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of steam.
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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(const Evaluation& /*temperature*/,
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const Evaluation& /*pressure*/)
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{
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return 1e-05;
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}
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/*!
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* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure water.
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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 extrapolate Whether to extrapolate for untabulated/unreasonable
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* values. If false an exception might be thrown.
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*/
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template <class Evaluation>
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static Evaluation liquidViscosity(const Evaluation& temperature, const Evaluation& pressure,
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bool extrapolate)
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{
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if (temperature > 570) {
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std::ostringstream oss;
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oss << "Viscosity of water based on Hu et al is too different from IAPWS for T above 570K and "
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<< "(T = " << temperature << ")";
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if(extrapolate)
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{
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#if HAVE_OPM_COMMON
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OpmLog::warning(oss.str());
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#else
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std::cerr << "warning: "<< oss.str() <<std::endl;
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#endif
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}
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else
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throw NumericalIssue(oss.str());
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}
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const Evaluation& rho = liquidDensity(temperature, pressure, extrapolate);
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return Common::viscosity(temperature, rho);
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}
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private:
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/*!
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* \brief The density of pure water in \f$\mathrm{[kg/m3]}\f$
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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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* \param extrapolate Whether to extrapolate for untabulated/unreasonable
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* values. If false an exception might be thrown.
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*/
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template <class Evaluation>
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static Evaluation liquidDensity_(const Evaluation& T, const Evaluation& pressure, bool extrapolate) {
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// Hu, Duan, Zhu and Chou: PVTx properties of the CO2-H2O and CO2-H2O-NaCl
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// systems below 647 K: Assessment of experimental data and
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// thermodynamics models, Chemical Geology, 2007.
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if (T > 647 || pressure > 100e6) {
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std::ostringstream oss;
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oss << "Density of water is only implemented for temperatures below 647K and "
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<< "pressures below 100MPa. (T = " << T << ", p=" << pressure;
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if(extrapolate)
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{
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#if HAVE_OPM_COMMON
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OpmLog::warning(oss.str());
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#else
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std::cerr << "warning: "<< oss.str() <<std::endl;
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#endif
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}
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else
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throw NumericalIssue(oss.str());
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}
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Evaluation p = pressure / 1e6; // to MPa
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Scalar Mw = molarMass() * 1e3; //kg/kmol
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static const Scalar k0[5] = { 3.27225e-07, -4.20950e-04, 2.32594e-01, -4.16920e+01, 5.71292e+03 };
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static const Scalar k1[5] = { -2.32306e-10, 2.91138e-07, -1.49662e-04, 3.59860e-02, -3.55071 };
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static const Scalar k2[3] = { 2.57241e-14, -1.24336e-11, 5.42707e-07 };
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static const Scalar k3[3] = { -4.42028e-18, 2.10007e-15, -8.11491e-11 };
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Evaluation k0_eval = 1e-3 * (((k0[0]*T + k0[1])*T + k0[2])*T + k0[3] + k0[4]/T);
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Evaluation k1_eval = 1e-2 * (((k1[0]*T + k1[1])*T + k1[2])*T + k1[3] + k1[4]/T);
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Evaluation k2_eval = 1e-1 * ((k2[0]*T + k2[1])*T*T + k2[2]);
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Evaluation k3_eval = (k3[0]*T + k3[1])*T*T + k3[2];
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// molar volum (m³/kmol):
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Evaluation vw = ((k3_eval*p + k2_eval)*p + k1_eval)*p + k0_eval;
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// density kg/m3
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return Mw / vw;
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}
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};
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template <class Scalar>
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const Scalar SimpleHuDuanH2O<Scalar>::R = Constants<Scalar>::R / 18e-3;
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} // namespace Opm
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#endif
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