From 0b3ce6b6b919abb018d131fbcf063830e3c825a6 Mon Sep 17 00:00:00 2001
From: Andreas Lauser <and@poware.org>
Date: Tue, 25 Oct 2011 14:00:37 +0000
Subject: [PATCH] Add constraint solver: ComputeFromReferencePhase
so far, it compiles but is untested otherwise but it shows for what
constraint solvers are meant for
git-svn-id: svn://svn.iws.uni-stuttgart.de/DUMUX/dumux/trunk@6788 2fb0f335-1f38-0410-981e-8018bf24f1b0
---
.../compositionfromfugacities.hh | 1 +
.../computefromreferencephase.hh | 158 ++++++++++++++++++
2 files changed, 159 insertions(+)
create mode 100644 dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
diff --git a/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh b/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
index 3cb9bd3129..a3fde6d5c8 100644
--- a/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
+++ b/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
@@ -27,6 +27,7 @@
#define DUMUX_COMPOSITION_FROM_FUGACITIES_HH
#include "../MpNcfluidstates/genericfluidstate.hh"
+#include <dumux/common/exceptions.hh>
namespace Dumux {
diff --git a/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh b/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
new file mode 100644
index 0000000000..bfbbeb6b24
--- /dev/null
+++ b/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
@@ -0,0 +1,158 @@
+/*****************************************************************************
+ * Copyright (C) 2011 by Andreas Lauser *
+ * Institute of Hydraulic Engineering *
+ * University of Stuttgart, Germany *
+ * email: <givenname>.<name>@iws.uni-stuttgart.de *
+ * *
+ * 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
+ *
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium
+ */
+#ifndef DUMUX_COMPUTE_FROM_REFERENCE_PHASE_HH
+#define DUMUX_COMPUTE_FROM_REFERENCE_PHASE_HH
+
+#include "../MpNcfluidstates/genericfluidstate.hh"
+#include <dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh>
+
+namespace Dumux {
+
+/*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *reference* phase
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ */
+template <class Scalar, class FluidSystem>
+class ComputeFromReferencePhase
+{
+ typedef typename FluidSystem::MutableParameters MutableParameters;
+
+ enum { numPhases = FluidSystem::numPhases };
+ enum { numComponents = FluidSystem::numComponents };
+ typedef Dumux::CompositionFromFugacities<Scalar, FluidSystem> CompositionFromFugacities;
+ typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
+
+public:
+ /*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *reference* phase
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ *
+ * \param mutParams The mutable parameters object which ought to be set
+ * \param refPhaseIdx The phase index of the reference phase
+ * \param setViscosity Specify whether the dynamic viscosity of
+ * each phase should also be set.
+ * \param setEnthalpy Specify whether the specific
+ * enthalpy/internal energy of each phase
+ * should also be set.
+ */
+ static void solve(MutableParameters &mutParams,
+ int refPhaseIdx,
+ bool setViscosity,
+ bool setEnthalpy)
+ {
+ ComponentVector fugVec;
+
+ // compute the density and enthalpy of the
+ // reference phase
+ mutParams.updateMeanMolarMass(refPhaseIdx);
+ mutParams.setMolarVolume(refPhaseIdx,
+ FluidSystem::computeMolarVolume(mutParams, refPhaseIdx));
+
+ if (setEnthalpy)
+ mutParams.setEnthalpy(refPhaseIdx,
+ FluidSystem::computeEnthalpy(mutParams, refPhaseIdx));
+
+ if (setViscosity)
+ mutParams.setViscosity(refPhaseIdx,
+ FluidSystem::computeViscosity(mutParams, refPhaseIdx));
+
+ // compute the fugacities of all components in the reference phase
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ mutParams.setFugacityCoeff(refPhaseIdx, compIdx,
+ FluidSystem::computeFugacityCoeff(mutParams, refPhaseIdx, compIdx));
+ fugVec[compIdx] = mutParams.fugacity(refPhaseIdx, compIdx);
+ }
+
+ // compute all quantities for the non-reference phases
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ if (phaseIdx == refPhaseIdx)
+ continue; // reference phase is already calculated
+
+ mutParams.setTemperature(phaseIdx, mutParams.temperature(refPhaseIdx));
+
+ CompositionFromFugacities::guessInitial(mutParams, phaseIdx, fugVec);
+ CompositionFromFugacities::solve(mutParams, phaseIdx, fugVec);
+
+ if (setViscosity)
+ mutParams.setViscosity(phaseIdx,
+ FluidSystem::computeViscosity(mutParams, phaseIdx));
+
+ if (setEnthalpy)
+ mutParams.setEnthalpy(phaseIdx,
+ FluidSystem::computeEnthalpy(mutParams, phaseIdx));
+ }
+ };
+};
+
+} // end namespace Dumux
+
+#endif
--
GitLab