From fd1a23224d843b2fe1f9698e86ea410cacdda17f Mon Sep 17 00:00:00 2001
From: Kilian Weishaupt <kilian.weishaupt@iws.uni-stuttgart.de>
Date: Wed, 27 Jan 2016 10:45:36 +0100
Subject: [PATCH] [cleanup] Use convenience function for concentrations
Implement molefraction(), massfraction(), molarity()
and molardensity() functions in the volvars and use it
instead of volvars.fluidstate().x().
---
.../mpnc/implicit/diffusion/fluxvariables.hh | 4 +--
.../mpnc/implicit/mass/localresidual.hh | 14 ++++----
.../implicit/mass/localresidualkinetic.hh | 4 +--
.../mpnc/implicit/volumevariables.hh | 34 +++++++++++++++++++
.../mpnc/implicit/vtkwritercommon.hh | 6 ++--
5 files changed, 48 insertions(+), 14 deletions(-)
diff --git a/dumux/porousmediumflow/mpnc/implicit/diffusion/fluxvariables.hh b/dumux/porousmediumflow/mpnc/implicit/diffusion/fluxvariables.hh
index ce68790af1..ce4b0ea710 100644
--- a/dumux/porousmediumflow/mpnc/implicit/diffusion/fluxvariables.hh
+++ b/dumux/porousmediumflow/mpnc/implicit/diffusion/fluxvariables.hh
@@ -105,12 +105,12 @@ public:
for (int compIdx = 0; compIdx < numComponents; ++compIdx){
// calculate mole fractions at the integration points of the face
- moleFraction_[phaseIdx][compIdx] += elemVolVars[volVarsIdx].fluidState().moleFraction(phaseIdx, compIdx)*
+ moleFraction_[phaseIdx][compIdx] += elemVolVars[volVarsIdx].moleFraction(phaseIdx, compIdx)*
face.shapeValue[idx];
// calculate mole fraction gradients
tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].fluidState().moleFraction(phaseIdx, compIdx);
+ tmp *= elemVolVars[volVarsIdx].moleFraction(phaseIdx, compIdx);
moleFractionGrad_[phaseIdx][compIdx] += tmp;
}
}
diff --git a/dumux/porousmediumflow/mpnc/implicit/mass/localresidual.hh b/dumux/porousmediumflow/mpnc/implicit/mass/localresidual.hh
index 4f13725fce..47d2b97d27 100644
--- a/dumux/porousmediumflow/mpnc/implicit/mass/localresidual.hh
+++ b/dumux/porousmediumflow/mpnc/implicit/mass/localresidual.hh
@@ -77,7 +77,7 @@ public:
for (int compIdx = 0; compIdx < numComponents; ++ compIdx) {
storage[compIdx] +=
volVars.saturation(phaseIdx)*
- volVars.fluidState().molarity(phaseIdx, compIdx);
+ volVars.molarity(phaseIdx, compIdx);
#ifndef NDEBUG
if (!std::isfinite(storage[compIdx]))
DUNE_THROW(NumericalProblem, "Calculated non-finite storage");
@@ -131,10 +131,10 @@ if (!std::isfinite(volumeFlux))
if (enableSmoothUpwinding_) {
const Scalar kGradPNormal = fluxVars.kGradPNormal(phaseIdx);
const Scalar mobUp = up.mobility(phaseIdx);
- const Scalar conUp = up.fluidState().molarity(phaseIdx, compIdx);
+ const Scalar conUp = up.molarity(phaseIdx, compIdx);
const Scalar mobDn = dn.mobility(phaseIdx);
- const Scalar conDn = dn.fluidState().molarity(phaseIdx, compIdx);
+ const Scalar conDn = dn.molarity(phaseIdx, compIdx);
const Scalar mobConUp = mobUp*conUp;
const Scalar mobConDn = mobDn*conDn;
@@ -180,9 +180,9 @@ if (!std::isfinite(volumeFlux))
{// not use smooth upwinding
flux[compIdx] =
volumeFlux *
- (( massUpwindWeight)*up.fluidState().molarity(phaseIdx, compIdx)
+ (( massUpwindWeight)*up.molarity(phaseIdx, compIdx)
+
- ( 1. - massUpwindWeight)*dn.fluidState().molarity(phaseIdx, compIdx) );
+ ( 1. - massUpwindWeight)*dn.molarity(phaseIdx, compIdx) );
if (!std::isfinite(flux[compIdx]))
DUNE_THROW(NumericalProblem, "Calculated non-finite normal flux in phase " << phaseIdx << " comp " << compIdx << "T: "<< up.fluidState().temperature(phaseIdx) << "S "<<up.saturation(phaseIdx) ) ;
}
@@ -221,8 +221,8 @@ if (!std::isfinite(volumeFlux))
// integration point by the arithmetic mean of the
// concentration of the sub-control volumes
Scalar molarDensityAtIP;
- molarDensityAtIP = volVarsI.fluidState().molarDensity(phaseIdx);
- molarDensityAtIP += volVarsJ.fluidState().molarDensity(phaseIdx);
+ molarDensityAtIP = volVarsI.molarDensity(phaseIdx);
+ molarDensityAtIP += volVarsJ.molarDensity(phaseIdx);
molarDensityAtIP /= 2;
Diffusion::flux(flux, phaseIdx, fluxVars, molarDensityAtIP);
diff --git a/dumux/porousmediumflow/mpnc/implicit/mass/localresidualkinetic.hh b/dumux/porousmediumflow/mpnc/implicit/mass/localresidualkinetic.hh
index e2eb52905d..e1dbdfa377 100644
--- a/dumux/porousmediumflow/mpnc/implicit/mass/localresidualkinetic.hh
+++ b/dumux/porousmediumflow/mpnc/implicit/mass/localresidualkinetic.hh
@@ -205,7 +205,7 @@ public:
Scalar x[numPhases][numComponents]; // mass fractions in wetting phase
for(int phaseIdx=0; phaseIdx<numPhases; ++phaseIdx){
for (int compIdx=0; compIdx< numComponents; ++ compIdx){
- x[phaseIdx][compIdx] = volVars.fluidState().moleFraction(phaseIdx, compIdx);
+ x[phaseIdx][compIdx] = volVars.moleFraction(phaseIdx, compIdx);
}
}
Valgrind::CheckDefined(x);
@@ -221,7 +221,7 @@ public:
#endif
Scalar phaseDensity[numPhases];
for(int phaseIdx=0; phaseIdx<numPhases; ++phaseIdx){
- phaseDensity[phaseIdx] = volVars.fluidState().molarDensity(phaseIdx);
+ phaseDensity[phaseIdx] = volVars.molarDensity(phaseIdx);
}
// diffusion coefficients in wetting phase
diff --git a/dumux/porousmediumflow/mpnc/implicit/volumevariables.hh b/dumux/porousmediumflow/mpnc/implicit/volumevariables.hh
index c75367ca85..e250b71db9 100644
--- a/dumux/porousmediumflow/mpnc/implicit/volumevariables.hh
+++ b/dumux/porousmediumflow/mpnc/implicit/volumevariables.hh
@@ -274,6 +274,40 @@ public:
Scalar saturation(int phaseIdx) const
{ return fluidState_.saturation(phaseIdx); }
+ /*!
+ * \brief Returns the mass fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar massFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.massFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Returns the mole fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar moleFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.moleFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Return concentration \f$\mathrm{[mol/m^3]}\f$ of a component in the phase.
+ *
+ * \param compIdx The index of the component
+ */
+ Scalar molarity(const int phaseIdx, int compIdx) const
+ { return fluidState_.molarity(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ the of the fluid phase.
+ */
+ Scalar molarDensity(const int phaseIdx) const
+ { return fluidState_.molarDensity(phaseIdx);}
+
/*!
* \brief Returns the effective mobility of a given phase within
* the control volume.
diff --git a/dumux/porousmediumflow/mpnc/implicit/vtkwritercommon.hh b/dumux/porousmediumflow/mpnc/implicit/vtkwritercommon.hh
index 442f3fae04..e6a8b735c0 100644
--- a/dumux/porousmediumflow/mpnc/implicit/vtkwritercommon.hh
+++ b/dumux/porousmediumflow/mpnc/implicit/vtkwritercommon.hh
@@ -157,9 +157,9 @@ public:
if (mobilityOutput_) mobility_[phaseIdx][dofIdxGlobal] = volVars.mobility(phaseIdx);
if (averageMolarMassOutput_) averageMolarMass_[phaseIdx][dofIdxGlobal] = volVars.fluidState().averageMolarMass(phaseIdx);
for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
- if (moleFracOutput_) moleFrac_[phaseIdx][compIdx][dofIdxGlobal] = volVars.fluidState().moleFraction(phaseIdx, compIdx);
- if (massFracOutput_) massFrac_[phaseIdx][compIdx][dofIdxGlobal] = volVars.fluidState().massFraction(phaseIdx, compIdx);
- if (molarityOutput_) molarity_[phaseIdx][compIdx][dofIdxGlobal] = volVars.fluidState().molarity(phaseIdx, compIdx);
+ if (moleFracOutput_) moleFrac_[phaseIdx][compIdx][dofIdxGlobal] = volVars.moleFraction(phaseIdx, compIdx);
+ if (massFracOutput_) massFrac_[phaseIdx][compIdx][dofIdxGlobal] = volVars.massFraction(phaseIdx, compIdx);
+ if (molarityOutput_) molarity_[phaseIdx][compIdx][dofIdxGlobal] = volVars.molarity(phaseIdx, compIdx);
}
}
}
--
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