From d0549e6fe96c8073495561ea54a96750109981c1 Mon Sep 17 00:00:00 2001
From: Muhammad Adil Javed <adilone@gmail.com>
Date: Mon, 14 Apr 2014 12:33:18 +0000
Subject: [PATCH] added two new component files
git-svn-id: svn://svn.iws.uni-stuttgart.de/DUMUX/dumux/trunk@12755 2fb0f335-1f38-0410-981e-8018bf24f1b0
---
dumux/material/components/nDodecane.hh | 279 +++++++++++++++++++++++++
dumux/material/components/nHeptan.hh | 279 +++++++++++++++++++++++++
2 files changed, 558 insertions(+)
create mode 100644 dumux/material/components/nDodecane.hh
create mode 100644 dumux/material/components/nHeptan.hh
diff --git a/dumux/material/components/nDodecane.hh b/dumux/material/components/nDodecane.hh
new file mode 100644
index 0000000000..5a339c95fb
--- /dev/null
+++ b/dumux/material/components/nDodecane.hh
@@ -0,0 +1,279 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program 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. *
+ * *
+ * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \ingroup Components
+ *
+ * \brief Properties of nDodecane.
+ */
+#ifndef DUMUX_nDodecane_HH
+#define DUMUX_nDodecane_HH
+
+#include <cmath>
+#include <dumux/material/idealgas.hh>
+#include <dumux/material/components/component.hh>
+#include <dumux/material/constants.hh>
+
+
+namespace Dumux
+{
+/*!
+ * \ingroup Components
+ * \brief nDodecane
+ *
+ * \tparam Scalar The type used for scalar values
+ */
+template <class Scalar>
+class nDodecane : public Component<Scalar, nDodecane<Scalar> >
+{
+ typedef Constants<Scalar> Consts;
+
+public:
+ /*!
+ * \brief A human readable name for the nDodecane
+ */
+ static const char *name()
+ { return "nDodecane"; }
+
+ /*!
+ * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of nDodecane
+ */
+ constexpr static Scalar molarMass()
+ { return 0.17; } //adil
+
+ /*!
+ * \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of nDodecane
+ */
+ constexpr static Scalar criticalTemperature()
+ { return DUNE_THROW(Dune::NotImplemented, "criticalTemperature for nDodecane"); //adil }
+
+ /*!
+ * \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of nDodecane
+ */
+ constexpr static Scalar criticalPressure()
+ { return DUNE_THROW(Dune::NotImplemented, "criticalPressure for nDodecane"); //adil }
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ at nDodecane's boiling point (1 atm).
+ */
+ constexpr static Scalar boilingTemperature()
+ { return 487; //adil http://en.wikipedia.org/wiki/Dodecane }
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ at nDodecane's triple point.
+ */
+ static Scalar tripleTemperature()
+ {
+ DUNE_THROW(Dune::NotImplemented, "tripleTemperature for nDodecane");
+ }
+
+ /*!
+ * \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at nDodecane's triple point.
+ */
+ static Scalar triplePressure()
+ {
+ DUNE_THROW(Dune::NotImplemented, "triplePressure for nDodecane");
+ }
+
+ /*!
+ * \brief The saturation vapor pressure in \f$\mathrm{[Pa]}\f$ of pure nDodecane
+ * at a given temperature according to Antoine after Betz 1997 -> Gmehling et al 1980
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ */
+
+ static Scalar vaporPressure(Scalar temperature) //adil
+ {
+ const Scalar A = 6.99765;
+ const Scalar B = 1639.27;
+ const Scalar C = 181.835;
+
+ Scalar T = temperature - 273.15;
+ Scalar psat = 1.334*std::pow(10.0, (A - (B/(T + C)))); // in [mbar]
+ psat *= 100.0; // in [Pa] (0.001*1.E5)
+
+ return psat;
+ }
+
+ /*!
+ * \brief Specific heat cap of liquid nDodecane \f$\mathrm{[J/kg]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Missenard group contrib. method (chap 5-7, Table 5-11, s. example 5-8)
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidHeatCapacity()
+ {
+ return 375.97/0.17; //adil [J/kgK]
+ }
+
+ static Scalar gasHeatCapacity()
+ {
+ return 2732; //adil [J/kgK]
+ }
+
+
+ /*!
+ * \brief Specific enthalpy of liquid nDodecane \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidEnthalpy(const Scalar temperature,
+ const Scalar pressure)
+ {
+ return DUNE_THROW(Dune::NotImplemented, "liquidEnthalpy for nDodecane"); //adil http://en.wikipedia.org/wiki/Heptane;
+ }
+
+ /*!
+ * \brief Latent heat of vaporization for nDodecane \f$\mathrm{[J/kg]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Chen method (chap. 7-11, Delta H_v = Delta H_v (T) according to chap. 7-12)
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar heatVap()
+ {
+ return 323000; //adil
+ }
+
+ /*Heat Conductivity [W/mK]*/
+
+ static Scalar heatConductivityVap()
+ {
+ return 0.025; //adil
+ }
+
+
+ /*Heat Conductivity [W/mK]*/
+
+ static Scalar heatConductivityLiquid()
+ {
+ return 0.095; //adil
+ }
+
+ /*!
+ * \brief Specific enthalpy of nDodecane vapor \f$\mathrm{[J/kg]}\f$.
+ *
+ * This relation is true on the vapor pressure curve, i.e. as long
+ * as there is a liquid phase present.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar gasEnthalpy(Scalar temperature, Scalar pressure)
+ {
+ return liquidEnthalpy(temperature, pressure) + heatVap(temperature, pressure);
+ }
+
+ /*!
+ * \brief The density \f$\mathrm{[kg/m^3]}\f$ of nDodecane gas at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar gasDensity(Scalar temperature, Scalar pressure)
+ {
+ return 1/0.23; //adil
+ }
+
+ /*!
+ * \brief The density \f$\mathrm{[mol/m^3]}\f$ of nDodecane gas at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar molarGasDensity(Scalar temperature, Scalar pressure)
+ {
+ return (gasDensity(temperature, pressure) / molarMass());
+ }
+
+ /*!
+ * \brief The molar density of pure nDodecane at a given pressure and temperature
+ * \f$\mathrm{[mol/m^3]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Modified Racket technique (chap. 3-11, eq. 3-11.9)
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar molarLiquidDensity(Scalar temp, Scalar pressure)
+ { return DUNE_THROW(Dune::NotImplemented, "molarLiquidDensity for nDodecane"); //adil // molar density [mol/m^3]
+ }
+
+ /*!
+ * \brief The density of pure nDodecane at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidDensity()
+ {
+ return 750; // [kg/m^3] //adil
+ }
+
+ /*!
+ * \brief Returns true iff the gas phase is assumed to be compressible
+ */
+ static bool gasIsCompressible()
+ { return true; }
+
+ /*!
+ * \brief Returns true iff the gas phase is assumed to be ideal
+ */
+ static bool gasIsIdeal()
+ { return true; }
+
+ /*!
+ * \brief Returns true iff the liquid phase is assumed to be compressible
+ */
+ static bool liquidIsCompressible()
+ { return false; }
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of nDodecane vapor
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ * \param regularize defines, if the functions is regularized or not, set to true by default
+ */
+ static Scalar gasViscosity(Scalar temp, Scalar pressure, bool regularize=true)
+ {
+ return 7.4e-6 * (1/0.23); // kinem. viscosity [m^2/s]*gasDensity [kg/m^3]= Dynamic viscosity[Pa s]
+ }
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure nDodecane.
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidViscosity(Scalar temp, Scalar pressure)
+ {
+
+ return 2.027e-6 * 750; // kinem. viscosity [m^2/s]*liquidDensity [kg/m^3]= Dynamic viscosity[Pa s]
+ }
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/material/components/nHeptan.hh b/dumux/material/components/nHeptan.hh
new file mode 100644
index 0000000000..272314ecb5
--- /dev/null
+++ b/dumux/material/components/nHeptan.hh
@@ -0,0 +1,279 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program 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. *
+ * *
+ * This program 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 this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \ingroup Components
+ *
+ * \brief Properties of nHeptan.
+ */
+#ifndef DUMUX_nHeptan_HH
+#define DUMUX_nHeptan_HH
+
+#include <cmath>
+#include <dumux/material/idealgas.hh>
+#include <dumux/material/components/component.hh>
+#include <dumux/material/constants.hh>
+
+
+namespace Dumux
+{
+/*!
+ * \ingroup Components
+ * \brief nHeptan
+ *
+ * \tparam Scalar The type used for scalar values
+ */
+template <class Scalar>
+class nHeptan : public Component<Scalar, nHeptan<Scalar> >
+{
+ typedef Constants<Scalar> Consts;
+
+public:
+ /*!
+ * \brief A human readable name for the nHeptan
+ */
+ static const char *name()
+ { return "nHeptan"; }
+
+ /*!
+ * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of nHeptan
+ */
+ constexpr static Scalar molarMass()
+ { return 0.1002; } //adil
+
+ /*!
+ * \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of nHeptan
+ */
+ constexpr static Scalar criticalTemperature()
+ { return DUNE_THROW(Dune::NotImplemented, "criticalTemperature for nHeptan"); //adil }
+
+ /*!
+ * \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of nHeptan
+ */
+ constexpr static Scalar criticalPressure()
+ { return DUNE_THROW(Dune::NotImplemented, "criticalPressure for nHeptan"); //adil }
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ at nHeptan's boiling point (1 atm).
+ */
+ constexpr static Scalar boilingTemperature()
+ { return 371.2; //adil http://en.wikipedia.org/wiki/Heptane }
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ at nHeptan's triple point.
+ */
+ static Scalar tripleTemperature()
+ {
+ DUNE_THROW(Dune::NotImplemented, "tripleTemperature for nHeptan");
+ }
+
+ /*!
+ * \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at nHeptan's triple point.
+ */
+ static Scalar triplePressure()
+ {
+ DUNE_THROW(Dune::NotImplemented, "triplePressure for nHeptan");
+ }
+
+ /*!
+ * \brief The saturation vapor pressure in \f$\mathrm{[Pa]}\f$ of pure nHeptan
+ * at a given temperature according to Antoine after Betz 1997 -> Gmehling et al 1980
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ */
+
+ static Scalar vaporPressure(Scalar temperature) //adil
+ {
+ const Scalar A = 6.89385;
+ const Scalar B = 1264.37;
+ const Scalar C = 216.636;
+
+ Scalar T = temperature - 273.15;
+ Scalar psat = 1.334*std::pow(10.0, (A - (B/(T + C)))); // in [mbar]
+ psat *= 100.0; // in [Pa] (0.001*1.E5)
+
+ return psat;
+ }
+
+ /*!
+ * \brief Specific heat cap of liquid nHeptan \f$\mathrm{[J/kg]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Missenard group contrib. method (chap 5-7, Table 5-11, s. example 5-8)
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidHeatCapacity()
+ {
+ return 224.93/0.100; //adil
+ }
+
+ static Scalar gasHeatCapacity()
+ {
+ return 2772; //adil
+ }
+
+
+ /*!
+ * \brief Specific enthalpy of liquid nHeptan \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidEnthalpy(const Scalar temperature,
+ const Scalar pressure)
+ {
+ return DUNE_THROW(Dune::NotImplemented, "liquidEnthalpy for nHeptan"); //adil http://en.wikipedia.org/wiki/Heptane;
+ }
+
+ /*!
+ * \brief Latent heat of vaporization for nHeptan \f$\mathrm{[J/kg]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Chen method (chap. 7-11, Delta H_v = Delta H_v (T) according to chap. 7-12)
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar heatVap()
+ {
+ return 316600; //adil
+ }
+
+ /*Heat Conductivity [W/mK]*/
+
+ static Scalar heatConductivityVap()
+ {
+ return 0.018; //adil
+ }
+
+
+ /*Heat Conductivity [W/mK]*/
+
+ static Scalar heatConductivityLiquid()
+ {
+ return 0.113; //adil
+ }
+
+ /*!
+ * \brief Specific enthalpy of nHeptan vapor \f$\mathrm{[J/kg]}\f$.
+ *
+ * This relation is true on the vapor pressure curve, i.e. as long
+ * as there is a liquid phase present.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar gasEnthalpy(Scalar temperature, Scalar pressure)
+ {
+ return liquidEnthalpy(temperature, pressure) + heatVap(temperature, pressure);
+ }
+
+ /*!
+ * \brief The density \f$\mathrm{[kg/m^3]}\f$ of nHeptan gas at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar gasDensity(Scalar temperature, Scalar pressure)
+ {
+ return 1/0.29; //adil
+ }
+
+ /*!
+ * \brief The density \f$\mathrm{[mol/m^3]}\f$ of nHeptan gas at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar molarGasDensity(Scalar temperature, Scalar pressure)
+ {
+ return (gasDensity(temperature, pressure) / molarMass());
+ }
+
+ /*!
+ * \brief The molar density of pure nHeptan at a given pressure and temperature
+ * \f$\mathrm{[mol/m^3]}\f$.
+ *
+ * source : Reid et al. (fourth edition): Modified Racket technique (chap. 3-11, eq. 3-11.9)
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar molarLiquidDensity(Scalar temp, Scalar pressure)
+ { return DUNE_THROW(Dune::NotImplemented, "molarLiquidDensity for nHeptan"); //adil // molar density [mol/m^3]
+ }
+
+ /*!
+ * \brief The density of pure nHeptan at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidDensity()
+ {
+ return 680; // [kg/m^3] //adil
+ }
+
+ /*!
+ * \brief Returns true iff the gas phase is assumed to be compressible
+ */
+ static bool gasIsCompressible()
+ { return true; }
+
+ /*!
+ * \brief Returns true iff the gas phase is assumed to be ideal
+ */
+ static bool gasIsIdeal()
+ { return true; }
+
+ /*!
+ * \brief Returns true iff the liquid phase is assumed to be compressible
+ */
+ static bool liquidIsCompressible()
+ { return false; }
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of nHeptan vapor
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ * \param regularize defines, if the functions is regularized or not, set to true by default
+ */
+ static Scalar gasViscosity(Scalar temp, Scalar pressure, bool regularize=true)
+ {
+ return 7.584e-6 * 3.448; // kinem. viscosity [m^2/s]*gasDensity [kg/m^3]= Dynamic viscosity[Pa s]
+ }
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure nHeptan.
+ *
+ * \param temp temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidViscosity(Scalar temp, Scalar pressure)
+ {
+
+ return 2.694e-7 * 680; // kinem. viscosity [m^2/s]*liquidDensity [kg/m^3]= Dynamic viscosity[Pa s]
+ }
+};
+
+} // end namespace
+
+#endif
--
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