From b12a2d0e41fabee7602868158be67953e8b5cdab Mon Sep 17 00:00:00 2001
From: Gabi Seitz <gabriele.seitz@iws.uni-stuttgart.de>
Date: Thu, 21 Dec 2017 09:00:09 +0100
Subject: [PATCH] [material] add calculation of effective solid properties
---
.../fluidmatrixinteractions/CMakeLists.txt | 1 +
.../mineralization/CMakeLists.txt | 6 ++
.../mineralization/effectivesoliddensity.hh | 90 +++++++++++++++++++
.../effectivesolidheatcapacity.hh | 90 +++++++++++++++++++
.../porosityreactivebed.hh | 5 +-
5 files changed, 189 insertions(+), 3 deletions(-)
create mode 100644 dumux/material/fluidmatrixinteractions/mineralization/CMakeLists.txt
create mode 100644 dumux/material/fluidmatrixinteractions/mineralization/effectivesoliddensity.hh
create mode 100644 dumux/material/fluidmatrixinteractions/mineralization/effectivesolidheatcapacity.hh
diff --git a/dumux/material/fluidmatrixinteractions/CMakeLists.txt b/dumux/material/fluidmatrixinteractions/CMakeLists.txt
index 027b7691e6..07a9487406 100644
--- a/dumux/material/fluidmatrixinteractions/CMakeLists.txt
+++ b/dumux/material/fluidmatrixinteractions/CMakeLists.txt
@@ -3,6 +3,7 @@ add_subdirectory("2p")
add_subdirectory("2pia")
add_subdirectory("3p")
add_subdirectory("mp")
+add_subdirectory("mineralization")
#install headers
install(FILES
diff --git a/dumux/material/fluidmatrixinteractions/mineralization/CMakeLists.txt b/dumux/material/fluidmatrixinteractions/mineralization/CMakeLists.txt
new file mode 100644
index 0000000000..6034e22bf8
--- /dev/null
+++ b/dumux/material/fluidmatrixinteractions/mineralization/CMakeLists.txt
@@ -0,0 +1,6 @@
+
+#install headers
+install(FILES
+effectivesoliddensity.hh
+effectivesolidheatcapacity.hh
+DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/dumux/material/fluidmatrixinteractions/mineralization)
diff --git a/dumux/material/fluidmatrixinteractions/mineralization/effectivesoliddensity.hh b/dumux/material/fluidmatrixinteractions/mineralization/effectivesoliddensity.hh
new file mode 100644
index 0000000000..54eeb92c41
--- /dev/null
+++ b/dumux/material/fluidmatrixinteractions/mineralization/effectivesoliddensity.hh
@@ -0,0 +1,90 @@
+// -*- 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
+ *
+ * \brief Class for the evaluation of the porosity subject to precipitation.
+ */
+#ifndef DUMUX_EFFECTIVE_SOLID_DENSITY_HH
+#define DUMUX_EFFECTIVE_SOLID_DENSITY_HH
+
+#include <dumux/discretization/evalsolution.hh>
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup Fluidmatrixinteractions
+ */
+
+/**
+ * \brief Calculates the effective solid density
+ */
+template<class TypeTag>
+class EffectiveSolidDensity
+{
+ using Scalar = typename GET_PROP_TYPE(TypeTag, Scalar);
+ using Problem = typename GET_PROP_TYPE(TypeTag, Problem);
+ using GridView = typename GET_PROP_TYPE(TypeTag, GridView);
+ using SpatialParams = typename GET_PROP_TYPE(TypeTag, SpatialParams);
+ using ElementSolution = typename GET_PROP_TYPE(TypeTag, ElementSolutionVector);
+ using SubControlVolume = typename GET_PROP_TYPE(TypeTag, SubControlVolume);
+
+ static const int dim = GridView::dimension;
+ static const int dimWorld = GridView::dimensionworld;
+ static const int numComponents = GET_PROP_VALUE(TypeTag, NumComponents);
+ static const int numSolidPhases = GET_PROP_VALUE(TypeTag, NumSPhases);
+
+ using Element = typename GridView::template Codim<0>:: Entity;
+
+public:
+ void init(const SpatialParams& spatialParams)
+ {
+ spatialParamsPtr_ = &spatialParams;
+ }
+
+ // calculates the effective solid density of multiple solid phases according to
+ // their volume fractions
+ Scalar effectiveSolidDensity(const Element& element,
+ const SubControlVolume& scv,
+ const ElementSolution& elemSol) const
+ {
+ auto priVars = evalSolution(element, element.geometry(), elemSol, scv.center());
+
+ Scalar sumPrecipitates = 0.0;
+ Scalar effRhoS = 0.0;
+ for (unsigned int solidPhaseIdx = 0; solidPhaseIdx < numSolidPhases; ++solidPhaseIdx)
+ {
+ sumPrecipitates += priVars[numComponents + solidPhaseIdx];
+ effRhoS += priVars[numComponents + solidPhaseIdx]*spatialParams_().solidPhaseDensity(element, scv, elemSol, solidPhaseIdx);
+ }
+
+ return effRhoS/sumPrecipitates;
+ }
+
+private:
+ const SpatialParams& spatialParams_() const
+ { return *spatialParamsPtr_; }
+
+ const SpatialParams* spatialParamsPtr_;
+};
+
+} // namespace Dumux
+
+#endif
diff --git a/dumux/material/fluidmatrixinteractions/mineralization/effectivesolidheatcapacity.hh b/dumux/material/fluidmatrixinteractions/mineralization/effectivesolidheatcapacity.hh
new file mode 100644
index 0000000000..d3ec1d493a
--- /dev/null
+++ b/dumux/material/fluidmatrixinteractions/mineralization/effectivesolidheatcapacity.hh
@@ -0,0 +1,90 @@
+// -*- 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
+ *
+ * \brief Class for the evaluation of the porosity subject to precipitation.
+ */
+#ifndef DUMUX_EFFECTIVE_SOLID_HEATCAPACITY_HH
+#define DUMUX_EFFECTIVE_SOLID_HEATCAPACITY_HH
+
+#include <dumux/discretization/evalsolution.hh>
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup Fluidmatrixinteractions
+ */
+
+/**
+ * \brief Calculates the effective solid heat capacity
+ */
+template<class TypeTag>
+class EffectiveSolidHeatCapacity
+{
+ using Scalar = typename GET_PROP_TYPE(TypeTag, Scalar);
+ using Problem = typename GET_PROP_TYPE(TypeTag, Problem);
+ using GridView = typename GET_PROP_TYPE(TypeTag, GridView);
+ using SpatialParams = typename GET_PROP_TYPE(TypeTag, SpatialParams);
+ using ElementSolution = typename GET_PROP_TYPE(TypeTag, ElementSolutionVector);
+ using SubControlVolume = typename GET_PROP_TYPE(TypeTag, SubControlVolume);
+
+ static const int dim = GridView::dimension;
+ static const int dimWorld = GridView::dimensionworld;
+ static const int numComponents = GET_PROP_VALUE(TypeTag, NumComponents);
+ static const int numSolidPhases = GET_PROP_VALUE(TypeTag, NumSPhases);
+
+ using Element = typename GridView::template Codim<0>:: Entity;
+
+public:
+ void init(const SpatialParams& spatialParams)
+ {
+ spatialParamsPtr_ = &spatialParams;
+ }
+
+ // calculates the effective solid heat capacity of multiple solid phases accordin to
+ // their volume fractions
+ Scalar effectiveSolidHeatCapacity(const Element& element,
+ const SubControlVolume& scv,
+ const ElementSolution& elemSol) const
+ {
+ auto priVars = evalSolution(element, element.geometry(), elemSol, scv.center());
+
+ Scalar sumPrecipitates = 0.0;
+ Scalar effCp = 0.0;
+ for (unsigned int solidPhaseIdx = 0; solidPhaseIdx < numSolidPhases; ++solidPhaseIdx)
+ {
+ sumPrecipitates += priVars[numComponents + solidPhaseIdx];
+ effCp += priVars[numComponents + solidPhaseIdx]*spatialParams_().solidPhaseHeatCapacity(element, scv, elemSol, solidPhaseIdx);
+ }
+
+ return effCp/sumPrecipitates;
+ }
+
+private:
+ const SpatialParams& spatialParams_() const
+ { return *spatialParamsPtr_; }
+
+ const SpatialParams* spatialParamsPtr_;
+};
+
+} // namespace Dumux
+
+#endif
diff --git a/dumux/material/fluidmatrixinteractions/porosityreactivebed.hh b/dumux/material/fluidmatrixinteractions/porosityreactivebed.hh
index fd0dac0d6a..f9df5f6feb 100644
--- a/dumux/material/fluidmatrixinteractions/porosityreactivebed.hh
+++ b/dumux/material/fluidmatrixinteractions/porosityreactivebed.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_POROSITY_REACTIVE_BED_HH
#define DUMUX_POROSITY_REACTIVE_BED_HH
-#include <dumux/discretization/scvoperator.hh>
+#include <dumux/discretization/evalsolution.hh>
namespace Dumux
{
@@ -42,7 +42,6 @@ class PorosityReactiveBed
using SpatialParams = typename GET_PROP_TYPE(TypeTag, SpatialParams);
using ElementSolution = typename GET_PROP_TYPE(TypeTag, ElementSolutionVector);
using SubControlVolume = typename GET_PROP_TYPE(TypeTag, SubControlVolume);
- using ScvOperator = SubControlVolumeOperator<TypeTag>;
static const int dim = GridView::dimension;
static const int dimWorld = GridView::dimensionworld;
@@ -68,7 +67,7 @@ public:
const SubControlVolume& scv,
const ElementSolution& elemSol) const
{
- auto priVars = ScvOperator::evaluateSolution(element, scv, elemSol);
+ auto priVars = evalSolution(element, element.geometry(), elemSol, scv.center());
Scalar sumPrecipitates = 0.0;
for (unsigned int solidPhaseIdx = 0; solidPhaseIdx < numSolidPhases; ++solidPhaseIdx)
--
GitLab