[components][ions] implement ion interface and carbonate and calcium ions

dumux/material/components/CMakeLists.txt

@@ -5,8 +5,11 @@ air.hh
 base.hh
 benzene.hh
 brine.hh
+calcite.hh
+calciumion.hh
 cao.hh
 cao2h2.hh
+carbonateion.hh
 ch4.hh
 co2.hh
 co2tablereader.hh

dumux/material/components/calcite.hh

+// -*- 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 A class for the CaCO3 mineral phase properties
+ */
+#ifndef DUMUX_CALCITE_HH
+#define DUMUX_CALCITE_HH
+
+#include <dumux/material/components/base.hh>
+#include <dumux/material/components/solid.hh>
+
+#include <dumux/material/components/calciumion.hh>
+#include <dumux/material/components/carbonateion.hh>
+
+namespace Dumux {
+namespace Components {
+
+/*!
+ * \ingroup Components
+ * \brief A class for the CaCO3 mineral phase properties
+ */
+template <class Scalar>
+class Calcite
+: public Components::Base<Scalar, Calcite<Scalar> >
+, public Components::Solid<Scalar, Calcite<Scalar> >
+{
+
+public:
+    using CalciumIon = Components::CalciumIon<Scalar>;
+    using CarbonateIon = Components::CarbonateIon<Scalar>;
+    /*!
+     * \brief A human readable name for calcite.
+     */
+    static std::string name()
+    { return "Calcite"; }
+
+    /*!
+     * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of calcite.
+     */
+    static constexpr Scalar molarMass()
+    { return CalciumIon::molarMass() + CarbonateIon::molarMass(); } // kg/mol
+
+    /*!
+     * \brief Returns true if the solid phase is assumed to be compressible
+     */
+    static constexpr bool solidIsCompressible()
+    { return false; }
+
+    /*!
+     * \brief The density in \f$\mathrm{[kg/m^3]}\f$ of the component at a given pressure in
+     *          \f$\mathrm{[Pa]}\f$ and temperature in \f$\mathrm{[K]}\f$.
+     *
+     * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+     * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+     */
+    static constexpr Scalar solidDensity(Scalar temperature)
+    { return 2.71e3; }
+
+    /*!
+     * \brief Thermal conductivity of the component \f$\mathrm{[W/(m*K)]}\f$ as a solid.
+     * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+     * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+     */
+    static Scalar solidThermalConductivity(Scalar temperature)
+    { return 3.849; }
+
+    /*!
+     * \brief Specific isobaric heat capacity of the component \f$\mathrm{[J/(kg*K)]}\f$ as a solid.
+     * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+     * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+     */
+    static Scalar solidHeatCapacity(Scalar temperature)
+    { return 837; }
+};
+
+} // end namespace Components
+} // end namespace Dumux
+
+#endif

dumux/material/components/calciumion.hh

+// -*- 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 A class for the Ca2+ (Calcium ion) component properties
+ */
+#ifndef DUMUX_CA_ION_HH
+#define DUMUX_CA_ION_HH
+
+#include <dumux/material/components/base.hh>
+#include <dumux/material/components/ion.hh>
+
+namespace Dumux {
+namespace Components {
+
+/*!
+ * \ingroup Components
+ * \brief A class for the Ca2+ (Calcium ion) component properties.
+ */
+template <class Scalar>
+class CalciumIon
+: public Components::Base<Scalar, CalciumIon<Scalar> >
+, public Components::Ion<Scalar, CalciumIon<Scalar> >
+{
+public:
+    /*!
+     * \brief A human readable name for the Ca ion.
+     */
+    static std::string name()
+    { return "Ca2+"; }
+
+    /*!
+     * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of the Ca ion.
+     */
+    static constexpr Scalar molarMass()
+    { return 40.078e-3; } // kg/mol
+
+    /*!
+     * \brief The charge balance of the Ca ion.
+     */
+    static constexpr int charge()
+    { return +2; }
+
+};
+
+} // end namespace Components
+} // end namespace Dumux
+
+#endif

dumux/material/components/carbonateion.hh

+// -*- 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 A class for the CO3 ion properties.
+ */
+#ifndef DUMUX_CO3_ION_HH
+#define DUMUX_CO3_ION_HH
+
+#include <dumux/material/components/base.hh>
+#include <dumux/material/components/ion.hh>
+
+namespace Dumux {
+namespace Components {
+
+/*!
+ * \ingroup Components
+ * \brief A class for the CO3 fluid properties.
+ */
+template <class Scalar>
+class CarbonateIon
+: public Components::Base<Scalar, CarbonateIon<Scalar> >
+, public Components::Ion<Scalar, CarbonateIon<Scalar> >
+{
+public:
+    /*!
+     * \brief A human readable name for the CO3 ion.
+     */
+    static std::string name()
+    { return "CO3-"; }
+
+    /*!
+     * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of the CO3 ion.
+     */
+    static constexpr Scalar molarMass()
+    { return 60.0092e-3; } // kg/mol
+
+    /*!
+     * \brief The charge balance of the CO3 ion.
+     */
+    static constexpr int charge()
+    { return -2; }
+
+};
+
+} // end namespace Components
+} // end namespace Dumux
+
+#endif

dumux/material/components/ion.hh

+// -*- 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 Interface for components that are ions.
+ */
+#ifndef DUMUX_COMPONENT_ION_HH
+#define DUMUX_COMPONENT_ION_HH
+
+#include <dune/common/exceptions.hh>
+
+#include <dumux/common/typetraits/typetraits.hh>
+
+namespace Dumux {
+namespace Components {
+
+template<class Scalar, class Component>
+class Ion
+{
+public:
+    /*!
+     * \brief Returns the charge of the ion.
+     */
+    template<class C = Component>
+    static constexpr int charge()
+    {
+        static_assert(AlwaysFalse<C>::value, "Mandatory function not implemented: charge()");
+        return 0; // iso c++ requires a return statement for constexpr functions
+    }
+};
+
+} // end namespace Components
+} // end namespace Dumux
+
+#endif