From 7ffe99edd182496ee340306e56124e9de156f010 Mon Sep 17 00:00:00 2001
From: Andreas Lauser <and@poware.org>
Date: Fri, 16 Dec 2011 13:23:23 +0000
Subject: [PATCH] some adaptions to the stuff decided today
- GenericFluidState -> NonEquilibriumFluidState (I don't remember the new name of EquilibriumFluidState)
- removed updateAverageMolarMass from NonEquilibriumFluidState and EquilibriumFluidState
- removed sum{Mole|Mass}Fractions from NonEquilibriumFluidState and EquilibriumFluidState
- all fluid states and systems now use enthalpy instead of internal energy
On a completely different front, this also makes the MpNc model
compile with energy enabled, although the implementation is still
incorrect. (as long as nobody is unhappy about it I won't change
this in this branch!)
git-svn-id: svn://svn.iws.uni-stuttgart.de/DUMUX/dumux/trunk@7059 2fb0f335-1f38-0410-981e-8018bf24f1b0
---
.../1p2cvs2p/watercontaminantfluidsystem.hh | 14 +--
dumux/boxmodels/1p2c/1p2cvolumevariables.hh | 1 -
.../boxmodels/2p2cni/2p2cnivolumevariables.hh | 4 +-
dumux/boxmodels/2pni/2pnivolumevariables.hh | 4 +-
dumux/boxmodels/MpNc/MpNcvolumevariables.hh | 1 -
.../MpNc/energy/MpNcfluxvariablesenergy.hh | 74 ++++++++-------
.../MpNc/energy/MpNclocalresidualenergy.hh | 2 +-
.../MpNc/energy/MpNcvolumevariablesenergy.hh | 6 +-
.../compositionfromfugacities.hh | 6 --
.../computefromreferencephase.hh | 24 +++--
.../misciblemultiphasecomposition.hh | 6 +-
.../MpNcfluidstates/equilibriumfluidstate.hh | 93 +++++++------------
.../MpNcfluidstates/immisciblefluidstate.hh | 33 ++-----
...idstate.hh => nonequilibriumfluidstate.hh} | 91 ++++++++----------
.../MpNcfluidsystems/1pfluidsystem.hh | 10 +-
.../2pimmisciblefluidsystem.hh | 15 +--
.../MpNcfluidsystems/h2on2fluidsystem.hh | 17 ++--
.../1p2c/interstitialfluidtrailfluidsystem.hh | 4 +-
.../MpNc/obstaclespatialparameters.hh | 12 +--
19 files changed, 177 insertions(+), 240 deletions(-)
rename dumux/material/MpNcfluidstates/{genericfluidstate.hh => nonequilibriumfluidstate.hh} (83%)
diff --git a/appl/lecture/msm/1p2cvs2p/watercontaminantfluidsystem.hh b/appl/lecture/msm/1p2cvs2p/watercontaminantfluidsystem.hh
index 91169019d6..99f490b5ed 100644
--- a/appl/lecture/msm/1p2cvs2p/watercontaminantfluidsystem.hh
+++ b/appl/lecture/msm/1p2cvs2p/watercontaminantfluidsystem.hh
@@ -282,7 +282,7 @@ public:
/*!
* \brief Given a phase's composition, temperature, pressure and
- * density, calculate its specific internal energy [J/kg].
+ * density, calculate its specific enthalpy [J/kg].
*
* \todo This fluid system neglects the contribution of
* gas-molecules in the liquid phase. This contribution is
@@ -294,12 +294,12 @@ public:
* \param phaseIdx The index of the fluid phase to consider
*/
template <class FluidState>
- static Scalar internalEnergy(const FluidState &fluidState,
- const ParameterCache ¶mCache,
- int phaseIdx)
+ static Scalar enthalpy(const FluidState &fluidState,
+ const ParameterCache ¶mCache,
+ int phaseIdx)
{
// TODO!
- DUNE_THROW(Dune::NotImplemented, "Internal energies!");
+ DUNE_THROW(Dune::NotImplemented, "Enthalpy");
};
/*!
@@ -319,7 +319,7 @@ public:
int phaseIdx)
{
// TODO!
- DUNE_THROW(Dune::NotImplemented, "Thermal conductivity!");
+ DUNE_THROW(Dune::NotImplemented, "Thermal conductivity");
}
/*!
@@ -336,7 +336,7 @@ public:
int phaseIdx)
{
// TODO!
- DUNE_THROW(Dune::NotImplemented, "Heat capacity!");
+ DUNE_THROW(Dune::NotImplemented, "Heat capacity");
}
};
diff --git a/dumux/boxmodels/1p2c/1p2cvolumevariables.hh b/dumux/boxmodels/1p2c/1p2cvolumevariables.hh
index 55da13154b..4d41328539 100644
--- a/dumux/boxmodels/1p2c/1p2cvolumevariables.hh
+++ b/dumux/boxmodels/1p2c/1p2cvolumevariables.hh
@@ -120,7 +120,6 @@ public:
}
fluidState_.setMoleFraction(/*phaseIdx=*/0, /*compIdx=*/0, 1 - x1);
fluidState_.setMoleFraction(/*phaseIdx=*/0, /*compIdx=*/1, x1);
- fluidState_.updateAverageMolarMass(/*phaseIdx=*/0);
typename FluidSystem::ParameterCache paramCache;
paramCache.updatePhase(fluidState_, /*phaseIdx=*/0);
diff --git a/dumux/boxmodels/2p2cni/2p2cnivolumevariables.hh b/dumux/boxmodels/2p2cni/2p2cnivolumevariables.hh
index f7ab0f41d4..b3d040276c 100644
--- a/dumux/boxmodels/2p2cni/2p2cnivolumevariables.hh
+++ b/dumux/boxmodels/2p2cni/2p2cnivolumevariables.hh
@@ -132,9 +132,9 @@ protected:
{
// copmute and set the internal energies of the fluid phases
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- Scalar u = FluidSystem::internalEnergy(this->fluidState_, paramCache, phaseIdx);
+ Scalar h = FluidSystem::enthalpy(this->fluidState_, paramCache, phaseIdx);
- this->fluidState_.setInternalEnergy(phaseIdx, u);
+ this->fluidState_.setEnthalpy(phaseIdx, h);
}
// copmute and set the heat capacity of the solid phase
diff --git a/dumux/boxmodels/2pni/2pnivolumevariables.hh b/dumux/boxmodels/2pni/2pnivolumevariables.hh
index 297c6d53b8..5399ac08ac 100644
--- a/dumux/boxmodels/2pni/2pnivolumevariables.hh
+++ b/dumux/boxmodels/2pni/2pnivolumevariables.hh
@@ -129,9 +129,9 @@ protected:
{
// copmute and set the internal energies of the fluid phases
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- Scalar u = FluidSystem::internalEnergy(this->fluidState_, paramCache, phaseIdx);
+ Scalar h = FluidSystem::enthalpy(this->fluidState_, paramCache, phaseIdx);
- this->fluidState_.setInternalEnergy(phaseIdx, u);
+ this->fluidState_.setEnthalpy(phaseIdx, h);
}
// copmute and set the heat capacity of the solid phase
diff --git a/dumux/boxmodels/MpNc/MpNcvolumevariables.hh b/dumux/boxmodels/MpNc/MpNcvolumevariables.hh
index 37038c8c4b..163225029b 100644
--- a/dumux/boxmodels/MpNc/MpNcvolumevariables.hh
+++ b/dumux/boxmodels/MpNc/MpNcvolumevariables.hh
@@ -219,7 +219,6 @@ public:
// update the remaining parts of the energy module
EnergyVolumeVariables::update(fluidState_,
paramCache,
- priVars,
element,
elemGeom,
scvIdx,
diff --git a/dumux/boxmodels/MpNc/energy/MpNcfluxvariablesenergy.hh b/dumux/boxmodels/MpNc/energy/MpNcfluxvariablesenergy.hh
index d4589e3b4c..8233476427 100644
--- a/dumux/boxmodels/MpNc/energy/MpNcfluxvariablesenergy.hh
+++ b/dumux/boxmodels/MpNc/energy/MpNcfluxvariablesenergy.hh
@@ -112,7 +112,7 @@ public:
for (int scvIdx = 0; scvIdx < fvElemGeom.numVertices; scvIdx++)
{
tmp = fvElemGeom.subContVolFace[scvfIdx].grad[scvIdx];
- tmp *= elemVolVars[scvIdx].temperature();
+ tmp *= elemVolVars[scvIdx].fluidState().temperature(/*phaseIdx=*/0);
temperatureGradient += tmp;
}
@@ -121,14 +121,16 @@ public:
lambdaPm_ = lumpedLambdaPm(problem,
+ element,
fvElemGeom,
scvfIdx,
elemVolVars) ;
}
- Scalar lumpedLambdaPm(const Problem & problem,
- const FVElementGeometry & fvElemGeom,
+ Scalar lumpedLambdaPm(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry & fvElemGeom,
int faceIdx,
const ElementVolumeVariables & elemVolVars)
{
@@ -136,38 +138,46 @@ public:
const int i = fvElemGeom.subContVolFace[faceIdx].i;
const int j = fvElemGeom.subContVolFace[faceIdx].j;
- const Scalar Sli = elemVolVars[i].fluidState().saturation(lPhaseIdx);
- const Scalar Slj = elemVolVars[j].fluidState().saturation(lPhaseIdx);
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(VolumeVariables))::FluidState FluidState;
+ const FluidState &fsI = elemVolVars[i].fluidState();
+ const FluidState &fsJ = elemVolVars[j].fluidState();
+ const Scalar Sli = fsI.saturation(lPhaseIdx);
+ const Scalar Slj = fsJ.saturation(lPhaseIdx);
- const Scalar Sl = std::max<Scalar>(0.0, 0.5*(Sli + Slj));
+ typename FluidSystem::ParameterCache paramCacheI, paramCacheJ;
+ paramCacheI.updateAll(fsI);
+ paramCacheJ.updateAll(fsJ);
- // const Scalar lambdaDry = 0.583; // W / (K m) // works, orig
- // const Scalar lambdaWet = 1.13; // W / (K m) // works, orig
-
- const typename FluidSystem::MutableParameters mutParams; //dummy
- const Scalar lambdaDry = 0.5 * (problem.spatialParameters().soilThermalConductivity() + FluidSystem::thermalConductivity(mutParams, gPhaseIdx) ); // W / (K m)
- const Scalar lambdaWet = 0.5 * (problem.spatialParameters().soilThermalConductivity() + FluidSystem::thermalConductivity(mutParams, lPhaseIdx)) ; // W / (K m)
-
- // the heat conductivity of the matrix. in general this is a
- // tensorial value, but we assume isotropic heat conductivity.
- // This is the Sommerton approach with lambdaDry =
- // lambdaSn100%. Taken from: H. Class: "Theorie und
- // numerische Modellierung nichtisothermer Mehrphasenprozesse
- // in NAPL-kontaminierten poroesen Medien", PhD Thesis, University of
- // Stuttgart, Institute of Hydraulic Engineering, p. 57
-
- Scalar result;
- if (Sl < 0.1) {
- // regularization
- Dumux::Spline<Scalar> sp(0, 0.1, // x1, x2
- 0, sqrt(0.1), // y1, y2
- 5*0.5/sqrt(0.1), 0.5/sqrt(0.1)); // m1, m2
- result = lambdaDry + sp.eval(Sl)*(lambdaWet - lambdaDry);
- }
- else
- result = lambdaDry + std::sqrt(Sl)*(lambdaWet - lambdaDry);
+ const Scalar Sl = std::max<Scalar>(0.0, 0.5*(Sli + Slj));
- return result;
+ // const Scalar lambdaDry = 0.583; // W / (K m) // works, orig
+ // const Scalar lambdaWet = 1.13; // W / (K m) // works, orig
+
+ Scalar lambdaSoilI = problem.spatialParameters().soilThermalConductivity(element, fvElemGeom, i);
+ Scalar lambdaSoilJ = problem.spatialParameters().soilThermalConductivity(element, fvElemGeom, i);
+ const Scalar lambdaDry = 0.5 * (lambdaSoilI + FluidSystem::thermalConductivity(fsI, paramCacheI, gPhaseIdx)); // W / (K m)
+ const Scalar lambdaWet = 0.5 * (lambdaSoilJ + FluidSystem::thermalConductivity(fsJ, paramCacheJ, lPhaseIdx)) ; // W / (K m)
+
+ // the heat conductivity of the matrix. in general this is a
+ // tensorial value, but we assume isotropic heat conductivity.
+ // This is the Sommerton approach with lambdaDry =
+ // lambdaSn100%. Taken from: H. Class: "Theorie und
+ // numerische Modellierung nichtisothermer Mehrphasenprozesse
+ // in NAPL-kontaminierten poroesen Medien", PhD Thesis, University of
+ // Stuttgart, Institute of Hydraulic Engineering, p. 57
+
+ Scalar result;
+ if (Sl < 0.1) {
+ // regularization
+ Dumux::Spline<Scalar> sp(0, 0.1, // x1, x2
+ 0, sqrt(0.1), // y1, y2
+ 5*0.5/sqrt(0.1), 0.5/sqrt(0.1)); // m1, m2
+ result = lambdaDry + sp.eval(Sl)*(lambdaWet - lambdaDry);
+ }
+ else
+ result = lambdaDry + std::sqrt(Sl)*(lambdaWet - lambdaDry);
+
+ return result;
}
/*!
diff --git a/dumux/boxmodels/MpNc/energy/MpNclocalresidualenergy.hh b/dumux/boxmodels/MpNc/energy/MpNclocalresidualenergy.hh
index cae84ef117..45e668dd49 100644
--- a/dumux/boxmodels/MpNc/energy/MpNclocalresidualenergy.hh
+++ b/dumux/boxmodels/MpNc/energy/MpNclocalresidualenergy.hh
@@ -142,7 +142,7 @@ public:
// heat stored in the rock matrix
result[energyEqIdx] +=
- volVars.temperature()
+ volVars.fluidState().temperature(/*phaseIdx=*/0)
* volVars.soilDensity()
* (1.0 - volVars.porosity())
* volVars.heatCapacity();
diff --git a/dumux/boxmodels/MpNc/energy/MpNcvolumevariablesenergy.hh b/dumux/boxmodels/MpNc/energy/MpNcvolumevariablesenergy.hh
index 7cd6b7681d..e9bc865e62 100644
--- a/dumux/boxmodels/MpNc/energy/MpNcvolumevariablesenergy.hh
+++ b/dumux/boxmodels/MpNc/energy/MpNcvolumevariablesenergy.hh
@@ -88,7 +88,6 @@ public:
*/
void update(FluidState &fs,
ParameterCache ¶mCache,
- const PrimaryVariables &sol,
const Element &element,
const FVElementGeometry &elemGeom,
int scvIdx,
@@ -174,9 +173,8 @@ public:
// set the enthalpies
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- Scalar u =
- FluidSystem::internalEnergy(fs, paramCache, phaseIdx);
- fs.setInternalEnergy(phaseIdx, u);
+ Scalar h = FluidSystem::enthalpy(fs, paramCache, phaseIdx);
+ fs.setEnthalpy(phaseIdx, h);
}
}
diff --git a/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh b/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
index 594a966679..79cf8f60ed 100644
--- a/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
+++ b/dumux/material/MpNcconstraintsolvers/compositionfromfugacities.hh
@@ -26,7 +26,6 @@
#ifndef DUMUX_COMPOSITION_FROM_FUGACITIES_HH
#define DUMUX_COMPOSITION_FROM_FUGACITIES_HH
-#include "../MpNcfluidstates/nonequilibriumfluidstate.hh"
#include <dumux/common/exceptions.hh>
namespace Dumux {
@@ -105,7 +104,6 @@ public:
// right hand side
Dune::FieldVector<Scalar, numComponents> b;
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhase(fluidState, phaseIdx);
// maximum number of iterations
@@ -195,7 +193,6 @@ protected:
fluidState.setMoleFraction(phaseIdx, i, fugacities[i]/gamma);
};
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhase(fluidState, phaseIdx);
Scalar rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
@@ -240,7 +237,6 @@ protected:
// deviate the mole fraction of the i-th component
Scalar x_i = fluidState.moleFraction(phaseIdx, i);
fluidState.setMoleFraction(phaseIdx, i, x_i + eps);
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhaseSingleMoleFraction(fluidState, phaseIdx, i);
// compute new defect and derivative for all component
@@ -266,7 +262,6 @@ protected:
// reset composition to original value
fluidState.setMoleFraction(phaseIdx, i, x_i);
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhaseSingleMoleFraction(fluidState, phaseIdx, i);
// end forward differences
@@ -325,7 +320,6 @@ protected:
//sumMoleFrac += std::abs(newx);
}
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhaseComposition(fluidState, phaseIdx);
/*
diff --git a/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh b/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
index 866b9d7c25..f251dc06c0 100644
--- a/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
+++ b/dumux/material/MpNcconstraintsolvers/computefromreferencephase.hh
@@ -30,7 +30,6 @@
#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 {
@@ -107,24 +106,23 @@ public:
ParameterCache ¶mCache,
int refPhaseIdx,
bool setViscosity,
- bool setInternalEnergy)
+ bool setEnthalpy)
{
ComponentVector fugVec;
// compute the density and enthalpy of the
// reference phase
- fluidState.updateAverageMolarMass(refPhaseIdx);
paramCache.updatePhase(fluidState, refPhaseIdx);
fluidState.setDensity(refPhaseIdx,
FluidSystem::density(fluidState,
paramCache,
refPhaseIdx));
- if (setInternalEnergy)
- fluidState.setInternalEnergy(refPhaseIdx,
- FluidSystem::internalEnergy(fluidState,
- paramCache,
- refPhaseIdx));
+ if (setEnthalpy)
+ fluidState.setEnthalpy(refPhaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ refPhaseIdx));
if (setViscosity)
fluidState.setViscosity(refPhaseIdx,
@@ -157,11 +155,11 @@ public:
paramCache,
phaseIdx));
- if (setInternalEnergy)
- fluidState.setInternalEnergy(phaseIdx,
- FluidSystem::internalEnergy(fluidState,
- paramCache,
- phaseIdx));
+ if (setEnthalpy)
+ fluidState.setEnthalpy(phaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ phaseIdx));
}
};
};
diff --git a/dumux/material/MpNcconstraintsolvers/misciblemultiphasecomposition.hh b/dumux/material/MpNcconstraintsolvers/misciblemultiphasecomposition.hh
index 68b97fdf45..d7db5a5512 100644
--- a/dumux/material/MpNcconstraintsolvers/misciblemultiphasecomposition.hh
+++ b/dumux/material/MpNcconstraintsolvers/misciblemultiphasecomposition.hh
@@ -167,8 +167,6 @@ public:
int rowIdx = phaseIdx*numComponents + compIdx;
fluidState.setMoleFraction(phaseIdx, compIdx, x[rowIdx]);
}
-
- fluidState.updateAverageMolarMass(phaseIdx);
paramCache.updatePhaseComposition(fluidState, phaseIdx);
Scalar value = FluidSystem::density(fluidState, paramCache, phaseIdx);
@@ -180,8 +178,8 @@ public:
}
if (setInternalEnergy) {
- value = FluidSystem::internalEnergy(fluidState, paramCache, phaseIdx);
- fluidState.setInternalEnergy(phaseIdx, value);
+ value = FluidSystem::enthalpy(fluidState, paramCache, phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, value);
}
}
};
diff --git a/dumux/material/MpNcfluidstates/equilibriumfluidstate.hh b/dumux/material/MpNcfluidstates/equilibriumfluidstate.hh
index c44b79d1be..6568ec3317 100644
--- a/dumux/material/MpNcfluidstates/equilibriumfluidstate.hh
+++ b/dumux/material/MpNcfluidstates/equilibriumfluidstate.hh
@@ -44,7 +44,19 @@ public:
enum { numComponents = FluidSystem::numComponents };
EquilibriumFluidState()
- { Valgrind::SetUndefined(*this); }
+ {
+ // set the composition to 0
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ moleFraction_[phaseIdx][compIdx] = 0;
+
+ averageMolarMass_[phaseIdx] = 0;
+ sumMoleFractions_[phaseIdx] = 0;
+ }
+
+ // make everything undefined so that valgrind will complain
+ Valgrind::SetUndefined(*this);
+ }
template <class FluidState>
EquilibriumFluidState(FluidState &fs)
@@ -72,29 +84,12 @@ public:
Scalar massFraction(int phaseIdx, int compIdx) const
{
return
- sumMassFractions(phaseIdx)*
- molarity(phaseIdx, compIdx)*
- FluidSystem::molarMass(compIdx)
- /
- density(phaseIdx);
+ sumMoleFractions_[phaseIdx]
+ * moleFraction_[phaseIdx][compIdx]
+ * FluidSystem::molarMass(compIdx)
+ / averageMolarMass_[phaseIdx];
}
- /*!
- * \brief The sum of all component mole fractions in a phase []
- *
- * We define this to be the same as the sum of all mass fractions.
- */
- Scalar sumMoleFractions(int phaseIdx) const
- { return sumMoleFractions_[phaseIdx]; }
-
- /*!
- * \brief The sum of all component mass fractions in a phase []
- *
- * We define this to be the same as the sum of all mole fractions.
- */
- Scalar sumMassFractions(int phaseIdx) const
- { return sumMoleFractions_[phaseIdx]; }
-
/*!
* \brief The average molar mass of a fluid phase [kg/mol]
*/
@@ -159,13 +154,13 @@ public:
* \brief The specific enthalpy of a fluid phase [J/kg]
*/
Scalar enthalpy(int phaseIdx) const
- { return internalEnergy_[phaseIdx] + pressure(phaseIdx)/(density(phaseIdx)); }
+ { return enthalpy_[phaseIdx]; }
/*!
* \brief The specific internal energy of a fluid phase [J/kg]
*/
Scalar internalEnergy(int phaseIdx) const
- { return internalEnergy_[phaseIdx]; }
+ { return enthalpy_[phaseIdx] - pressure(phaseIdx)/density(phaseIdx); }
/*!
* \brief The dynamic viscosity of a fluid phase [Pa s]
@@ -185,16 +180,6 @@ public:
Scalar temperature() const
{ return temperature_; }
- /*!
- * \brief The capillary pressure [Pa] between a phase and a
- * reference phase.
- *
- * In order to make the term "capillary pressure" meaningful in a
- * physical sense, mechanic equilibrium needs to be assumed.
- */
- Scalar capillaryPressure(int refPhaseIdx, int phaseIdx) const
- { return pressure_[phaseIdx] - pressure_[refPhaseIdx]; }
-
/*!
* \brief The fugacity of a component
*
@@ -230,7 +215,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
- internalEnergy_[phaseIdx] = fs.internalEnergy(phaseIdx);
+ enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
}
temperature_ = fs.temperature(0);
@@ -258,7 +243,19 @@ public:
* \brief Set the mole fraction of a component in a phase []
*/
void setMoleFraction(int phaseIdx, int compIdx, Scalar value)
- { moleFraction_[phaseIdx][compIdx] = value; }
+ {
+ Valgrind::CheckDefined(value);
+
+ Scalar delta = value - moleFraction_[phaseIdx][compIdx];
+
+ moleFraction_[phaseIdx][compIdx] = value;
+
+ sumMoleFractions_[phaseIdx] += delta;
+ averageMolarMass_[phaseIdx] += delta*FluidSystem::molarMass(compIdx);
+
+ Valgrind::SetDefined(sumMoleFractions_[phaseIdx]);
+ Valgrind::SetDefined(averageMolarMass_[phaseIdx]);
+ };
/*!
* \brief Set the fugacity of a component in a phase []
@@ -275,8 +272,8 @@ public:
/*!
* \brief Set the specific enthalpy of a phase [J/m^3]
*/
- void setInternalEnergy(int phaseIdx, Scalar value)
- { internalEnergy_[phaseIdx] = value; }
+ void setEnthalpy(int phaseIdx, Scalar value)
+ { enthalpy_[phaseIdx] = value; }
/*!
* \brief Set the dynamic viscosity of a phase [Pa s]
@@ -284,24 +281,6 @@ public:
void setViscosity(int phaseIdx, Scalar value)
{ viscosity_[phaseIdx] = value; }
- /*!
- * \brief Calculatate the mean molar mass of a phase given that
- * all mole fractions have been set
- */
- void updateAverageMolarMass(int phaseIdx)
- {
- averageMolarMass_[phaseIdx] = 0;
- sumMoleFractions_[phaseIdx] = 0;
-
- for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
- sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compIdx];
- averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compIdx]*FluidSystem::molarMass(compIdx);
- }
- sumMoleFractions_[phaseIdx] = std::max(1e-15, sumMoleFractions_[phaseIdx]);
- Valgrind::CheckDefined(averageMolarMass_[phaseIdx]);
- Valgrind::CheckDefined(sumMoleFractions_[phaseIdx]);
- }
-
/*!
* \brief Make sure that all attributes are defined.
*
@@ -339,7 +318,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
- Scalar internalEnergy_[numPhases];
+ Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_;
};
diff --git a/dumux/material/MpNcfluidstates/immisciblefluidstate.hh b/dumux/material/MpNcfluidstates/immisciblefluidstate.hh
index 69836d04a5..eb087e6e70 100644
--- a/dumux/material/MpNcfluidstates/immisciblefluidstate.hh
+++ b/dumux/material/MpNcfluidstates/immisciblefluidstate.hh
@@ -74,22 +74,6 @@ public:
Scalar massFraction(int phaseIdx, int compIdx) const
{ return (phaseIdx == compIdx)?1.0:0.0; }
- /*!
- * \brief The sum of all component mole fractions in a phase []
- *
- * We define this to be the same as the sum of all mass fractions.
- */
- Scalar sumMoleFractions(int phaseIdx) const
- { return 1.0; }
-
- /*!
- * \brief The sum of all component mass fractions in a phase []
- *
- * We define this to be the same as the sum of all mole fractions.
- */
- Scalar sumMassFractions(int phaseIdx) const
- { return 1.0; }
-
/*!
* \brief The average molar mass of a fluid phase [kg/mol]
*/
@@ -175,13 +159,13 @@ public:
* \brief The specific enthalpy of a fluid phase [J/kg]
*/
Scalar enthalpy(int phaseIdx) const
- { return internalEnergy_[phaseIdx] + pressure(phaseIdx)/(density(phaseIdx)); }
+ { return enthalpy_[phaseIdx]; }
/*!
* \brief The specific internal energy of a fluid phase [J/kg]
*/
Scalar internalEnergy(int phaseIdx) const
- { return internalEnergy_[phaseIdx]; }
+ { return enthalpy_[phaseIdx] - pressure(phaseIdx)/density(phaseIdx); }
/*!
* \brief The dynamic viscosity of a fluid phase [Pa s]
@@ -189,7 +173,6 @@ public:
Scalar viscosity(int phaseIdx) const
{ return viscosity_[phaseIdx]; }
-
/*****************************************************
* Access to fluid properties which only make sense
* if assuming thermodynamic equilibrium
@@ -231,7 +214,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
- internalEnergy_[phaseIdx] = fs.internalEnergy(phaseIdx);
+ enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
}
temperature_ = fs.temperature(0);
@@ -262,10 +245,10 @@ public:
{ density_[phaseIdx] = value; }
/*!
- * \brief Set the specific internal energy of a phase [J/m^3]
+ * \brief Set the specific enthalpy of a phase [J/m^3]
*/
- void setInternalEnergy(int phaseIdx, Scalar value)
- { internalEnergy_[phaseIdx] = value; }
+ void setEnthalpy(int phaseIdx, Scalar value)
+ { enthalpy_[phaseIdx] = value; }
/*!
* \brief Set the dynamic viscosity of a phase [Pa s]
@@ -288,7 +271,7 @@ public:
//for (int j = 0; j < numComponents; ++j) {
// Valgrind::CheckDefined(fugacityCoefficient_[i][j]);
//}
- Valgrind::CheckDefined(pressure_[i]);
+ Valgrind:CheckDefined(pressure_[i]);
Valgrind::CheckDefined(saturation_[i]);
Valgrind::CheckDefined(density_[i]);
//Valgrind::CheckDefined(internalEnergy_[i]);
@@ -303,7 +286,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
- Scalar internalEnergy_[numPhases];
+ Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_;
};
diff --git a/dumux/material/MpNcfluidstates/genericfluidstate.hh b/dumux/material/MpNcfluidstates/nonequilibriumfluidstate.hh
similarity index 83%
rename from dumux/material/MpNcfluidstates/genericfluidstate.hh
rename to dumux/material/MpNcfluidstates/nonequilibriumfluidstate.hh
index 9b4778c7c3..c6e64b4bdf 100644
--- a/dumux/material/MpNcfluidstates/genericfluidstate.hh
+++ b/dumux/material/MpNcfluidstates/nonequilibriumfluidstate.hh
@@ -40,14 +40,26 @@ namespace Dumux
* any assumptions.
*/
template <class Scalar, class FluidSystem>
-class GenericFluidState
+class NonEquilibriumFluidState
{
public:
enum { numPhases = FluidSystem::numPhases };
enum { numComponents = FluidSystem::numComponents };
- GenericFluidState()
- { Valgrind::SetUndefined(*this); }
+ NonEquilibriumFluidState()
+ {
+ // set the composition to 0
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ moleFractions_[phaseIdx][compIdx] = 0;
+
+ averageMolarMass_[phaseIdx] = 0;
+ sumMoleFractions_[phaseIdx] = 0;
+ }
+
+ // make everything undefined so that valgrind will complain
+ Valgrind::SetUndefined(*this);
+ }
/*****************************************************
* Generic access to fluid properties (No assumptions
@@ -72,28 +84,12 @@ public:
Scalar massFraction(int phaseIdx, int compIdx) const
{
return
- sumMassFraction(phaseIdx)
+ sumMoleFractions_[phaseIdx]
* moleFraction_[phaseIdx][compIdx]
* FluidSystem::molarMass(compIdx)
/ averageMolarMass_[phaseIdx];
}
- /*!
- * \brief The sum of all component mole fractions in a phase []
- *
- * We define this to be the same as the sum of all mass fractions.
- */
- Scalar sumMoleFractions(int phaseIdx) const
- { return sumMoleFractions_[phaseIdx]; }
-
- /*!
- * \brief The sum of all component mass fractions in a phase []
- *
- * We define this to be the same as the sum of all mole fractions.
- */
- Scalar sumMassFraction(int phaseIdx) const
- { return sumMoleFractions_[phaseIdx]; }
-
/*!
* \brief The mean molar mass of a fluid phase [kg/mol]
*/
@@ -153,18 +149,17 @@ public:
*/
Scalar pressure(int phaseIdx) const
{ return pressure_[phaseIdx]; };
-
/*!
- * \brief The specific internal energy of a fluid phase [J/kg]
+ * \brief The specific enthalpy of a fluid phase [J/kg]
*/
- Scalar internalEnergy(int phaseIdx) const
- { return internalEnergy_[phaseIdx]; };
+ Scalar enthalpy(int phaseIdx) const
+ { return enthalpy_[phaseIdx]; }
/*!
- * \brief The specific enthalpy of a fluid phase [J/kg]
+ * \brief The specific internal energy of a fluid phase [J/kg]
*/
- Scalar enthalpy(int phaseIdx) const
- { return internalEnergy(phaseIdx) + pressure(phaseIdx)/density(phaseIdx); };
+ Scalar internalEnergy(int phaseIdx) const
+ { return enthalpy_[phaseIdx] - pressure(phaseIdx)/density(phaseIdx); }
/*!
* \brief The dynamic viscosity of a fluid phase [Pa s]
@@ -199,7 +194,19 @@ public:
* \brief Set the mole fraction of a component in a phase []
*/
void setMoleFraction(int phaseIdx, int compIdx, Scalar value)
- { moleFraction_[phaseIdx][compIdx] = value; }
+ {
+ Valgrind::CheckDefined(value);
+
+ Scalar delta = value - moleFraction_[phaseIdx][compIdx];
+
+ moleFraction_[phaseIdx][compIdx] = value;
+
+ sumMoleFractions_[phaseIdx] += delta;
+ averageMolarMass_[phaseIdx] += delta*FluidSystem::molarMass(compIdx);
+
+ Valgrind::SetDefined(sumMolarMass_[phaseIdx]);
+ Valgrind::SetDefined(averageMolarMass_[phaseIdx]);
+ }
/*!
* \brief Set the fugacity of a component in a phase []
@@ -214,10 +221,10 @@ public:
{ density_[phaseIdx] = value; }
/*!
- * \brief Set the specific internal energy of a phase [J/m^3]
+ * \brief Set the specific enthalpy of a phase [J/m^3]
*/
- void setInternalEnergy(int phaseIdx, Scalar value)
- { internalEnergy_[phaseIdx] = value; }
+ void setEnthalpy(int phaseIdx, Scalar value)
+ { enthalpy_[phaseIdx] = value; }
/*!
* \brief Set the dynamic viscosity of a phase [Pa s]
@@ -225,24 +232,6 @@ public:
void setViscosity(int phaseIdx, Scalar value)
{ viscosity_[phaseIdx] = value; }
- /*!
- * \brief Calculatate the mean molar mass of a phase given that
- * all mole fractions have been set
- */
- void updateAverageMolarMass(int phaseIdx)
- {
- averageMolarMass_[phaseIdx] = 0;
- sumMoleFractions_[phaseIdx] = 0;
-
- for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
- sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compIdx];
- averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compIdx]*FluidSystem::molarMass(compIdx);
- }
- sumMoleFractions_[phaseIdx] = std::max(1e-15, sumMoleFractions_[phaseIdx]);
- Valgrind::CheckDefined(averageMolarMass_[phaseIdx]);
- Valgrind::CheckDefined(sumMoleFractions_[phaseIdx]);
- }
-
/*!
* \brief Retrieve all parameters from an arbitrary fluid
* state.
@@ -260,7 +249,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
- internalEnergy_[phaseIdx] = fs.internalEnergy(phaseIdx);
+ enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
temperature_[phaseIdx] = fs.temperature(phaseIdx);
}
@@ -302,7 +291,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
- Scalar internalEnergy_[numPhases];
+ Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_[numPhases];
};
diff --git a/dumux/material/MpNcfluidsystems/1pfluidsystem.hh b/dumux/material/MpNcfluidsystems/1pfluidsystem.hh
index bac653903f..9fcd1a85ec 100644
--- a/dumux/material/MpNcfluidsystems/1pfluidsystem.hh
+++ b/dumux/material/MpNcfluidsystems/1pfluidsystem.hh
@@ -303,22 +303,22 @@ public:
/*!
* \brief Given a phase's composition, temperature, pressure and
- * density, calculate its specific internal energy [J/kg].
+ * density, calculate its specific enthalpy [J/kg].
*
* \param fluidState An abitrary fluid state
* \param paramCache The fluid system's parameter cache
* \param phaseIdx The index of the fluid phase to consider
*/
template <class FluidState>
- static Scalar internalEnergy(const FluidState &fluidState,
- const ParameterCache ¶mCache,
- int phaseIdx)
+ static Scalar enthalpy(const FluidState &fluidState,
+ const ParameterCache ¶mCache,
+ int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
- return Fluid::internalEnergy(temperature, pressure);
+ return Fluid::enthalpy(temperature, pressure);
}
/*!
diff --git a/dumux/material/MpNcfluidsystems/2pimmisciblefluidsystem.hh b/dumux/material/MpNcfluidsystems/2pimmisciblefluidsystem.hh
index dc36667a27..70196ee0e1 100644
--- a/dumux/material/MpNcfluidsystems/2pimmisciblefluidsystem.hh
+++ b/dumux/material/MpNcfluidsystems/2pimmisciblefluidsystem.hh
@@ -329,18 +329,11 @@ public:
};
/*!
- * \brief Return the specific internal of a fluid phase [J/kg].
- *
- * \param phaseIdx index of the phase
- * \param temperature phase temperature in [K]
- * \param pressure phase pressure in [Pa]
- * \param fluidState The fluid state of the two-phase model
- * \tparam FluidState the fluid state class of the two-phase model
- * \return returns the specific enthalpy of the phase [J/kg]
+ * \brief Return the specific enthalpy of a fluid phase [J/kg].
*/
using Base::internalEnergy;
template <class FluidState>
- static Scalar internalEnergy(const FluidState &fluidState,
+ static Scalar enthalpy(const FluidState &fluidState,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
@@ -348,8 +341,8 @@ public:
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
if (phaseIdx == wPhaseIdx)
- return WettingPhase::internalEnergy(temperature, pressure);
- return NonWettingPhase::internalEnergy(temperature, pressure);
+ return WettingPhase::enthalpy(temperature, pressure);
+ return NonWettingPhase::enthalpy(temperature, pressure);
}
/*!
diff --git a/dumux/material/MpNcfluidsystems/h2on2fluidsystem.hh b/dumux/material/MpNcfluidsystems/h2on2fluidsystem.hh
index f643546ed4..e5b4f0ed38 100644
--- a/dumux/material/MpNcfluidsystems/h2on2fluidsystem.hh
+++ b/dumux/material/MpNcfluidsystems/h2on2fluidsystem.hh
@@ -25,8 +25,6 @@
#ifndef DUMUX_H2O_N2_FLUID_SYSTEM_HH
#define DUMUX_H2O_N2_FLUID_SYSTEM_HH
-#include <dumux/material/MpNcfluidstates/nonequilibriumfluidstate.hh>
-
#include <dumux/material/components/simpleh2o.hh>
#include <dumux/material/components/h2o.hh>
#include <dumux/material/components/n2.hh>
@@ -34,7 +32,6 @@
#include <dumux/material/idealgas.hh>
#include <dumux/material/binarycoefficients/h2o_n2.hh>
-#include <dumux/material/MpNcfluidstates/nonequilibriumfluidstate.hh>
#include <dumux/common/valgrind.hh>
#include <dumux/common/exceptions.hh>
@@ -456,7 +453,7 @@ public:
/*!
* \brief Given a phase's composition, temperature, pressure and
- * density, calculate its specific internal energy [J/kg].
+ * density, calculate its specific enthalpy [J/kg].
*
* \todo This fluid system neglects the contribution of
* gas-molecules in the liquid phase. This contribution is
@@ -468,9 +465,9 @@ public:
* \param phaseIdx The index of the fluid phase to consider
*/
template <class FluidState>
- static Scalar internalEnergy(const FluidState &fluidState,
- const ParameterCache ¶mCache,
- int phaseIdx)
+ static Scalar enthalpy(const FluidState &fluidState,
+ const ParameterCache ¶mCache,
+ int phaseIdx)
{
Scalar T = fluidState.temperature(phaseIdx);
Scalar p = fluidState.pressure(phaseIdx);
@@ -479,15 +476,15 @@ public:
if (phaseIdx == lPhaseIdx) {
// TODO: correct way to deal with the solutes???
return
- H2O::liquidInternalEnergy(T, p) ;
+ H2O::liquidEnthalpy(T, p) ;
}
else {
// assume ideal gas
Scalar XH2O = fluidState.massFraction(gPhaseIdx, H2OIdx);
Scalar XN2 = fluidState.massFraction(gPhaseIdx, N2Idx);
Scalar result = 0;
- result += XH2O*H2O::gasInternalEnergy(T, p);
- result += XN2*N2::gasInternalEnergy(T, p);
+ result += XH2O*H2O::gasEnthalpy(T, p);
+ result += XN2*N2::gasEnthalpy(T, p);
return result;
}
}
diff --git a/test/boxmodels/1p2c/interstitialfluidtrailfluidsystem.hh b/test/boxmodels/1p2c/interstitialfluidtrailfluidsystem.hh
index a7aa775159..ab2b6bd91e 100644
--- a/test/boxmodels/1p2c/interstitialfluidtrailfluidsystem.hh
+++ b/test/boxmodels/1p2c/interstitialfluidtrailfluidsystem.hh
@@ -301,13 +301,13 @@ public:
* \param phaseIdx for which phase to give back the heat capacity
*/
template <class FluidState>
- static Scalar internalEnergy(const FluidState &fluidState,
+ static Scalar enthalpy(const FluidState &fluidState,
const ParameterCache ¶mCache,
int phaseIdx)
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
- DUNE_THROW(Dune::NotImplemented, "Internal energies");
+ DUNE_THROW(Dune::NotImplemented, "Enthalpies");
};
/*!
diff --git a/test/boxmodels/MpNc/obstaclespatialparameters.hh b/test/boxmodels/MpNc/obstaclespatialparameters.hh
index 60a2d11703..ddbac95ebd 100644
--- a/test/boxmodels/MpNc/obstaclespatialparameters.hh
+++ b/test/boxmodels/MpNc/obstaclespatialparameters.hh
@@ -272,16 +272,16 @@ public:
return coarseMaterialParams_;
}
- const Scalar & soilDensity(const Element &element,
- const FVElementGeometry &fvElemGeom,
- int scvIdx) const
+ Scalar soilDensity(const Element &element,
+ const FVElementGeometry &fvElemGeom,
+ int scvIdx) const
{
return 2700. ; // density of granite [kg/m^3]
}
- const Scalar & soilThermalConductivity(const Element &element,
- const FVElementGeometry &fvElemGeom,
- int scvIdx) const
+ Scalar soilThermalConductivity(const Element &element,
+ const FVElementGeometry &fvElemGeom,
+ int scvIdx) const
{
return 2.8; // conductivity of granite [W / (m K ) ]
}
--
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