From 2d166c7ce0d17cc71539f4ad2af754e9c1cd703e Mon Sep 17 00:00:00 2001
From: Katharina Heck <katharina.heck@iws.uni-stuttgart.de>
Date: Fri, 27 Apr 2018 14:27:27 +0200
Subject: [PATCH] [fluidstates] make it possible to use fluidstates with
several temperatures
---
dumux/material/fluidstates/compositional.hh | 15 +++--
dumux/material/fluidstates/immiscible.hh | 20 +++++--
dumux/material/fluidstates/nonequilibrium.hh | 61 ++++++++++++++++++++
3 files changed, 85 insertions(+), 11 deletions(-)
diff --git a/dumux/material/fluidstates/compositional.hh b/dumux/material/fluidstates/compositional.hh
index 2e065d34d1..f1eed0374f 100644
--- a/dumux/material/fluidstates/compositional.hh
+++ b/dumux/material/fluidstates/compositional.hh
@@ -208,7 +208,7 @@ public:
* \brief The absolute temperature\f$T_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[K]}\f$
*/
Scalar temperature(int phaseIdx) const
- { return temperature_; }
+ { return temperature_[phaseIdx]; }
/*!
* \brief The pressure \f$p_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa]}\f$
@@ -257,7 +257,7 @@ public:
* \brief The temperature within the domain \f$\mathrm{[K]}\f$
*/
Scalar temperature() const
- { return temperature_; }
+ { return temperature_[0]; }
/*!
* \brief The fugacity of a component \f$\mathrm{[Pa]}\f$
@@ -288,6 +288,7 @@ public:
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
averageMolarMass_[phaseIdx] = 0;
sumMoleFractions_[phaseIdx] = 0;
+ temperature_[phaseIdx] = fs.temperature();
for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
moleFraction_[phaseIdx][compIdx] = fs.moleFraction(phaseIdx, compIdx);
fugacityCoefficient_[phaseIdx][compIdx] = fs.fugacityCoefficient(phaseIdx, compIdx);
@@ -300,7 +301,6 @@ public:
enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
}
- temperature_ = fs.temperature(0);
wPhaseIdx_ = fs.wettingPhase();
}
@@ -308,7 +308,10 @@ public:
* \brief Set the temperature \f$\mathrm{[K]}\f$ of all phases.
*/
void setTemperature(Scalar value)
- { temperature_ = value; }
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ temperature_[phaseIdx] = value;
+ }
/*!
* \brief Set the temperature \f$\mathrm{[K]}\f$ of a specific phase.
@@ -316,7 +319,7 @@ public:
*/
void setTemperature(const int phaseIdx, const Scalar value)
{
- DUNE_THROW(Dune::NotImplemented, "This is a fluidstate for equilibrium, temperature in all phases is assumed to be equal.");
+ temperature_[phaseIdx] = value;
}
/*!
@@ -481,7 +484,7 @@ protected:
Scalar density_[numPhases];
Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
- Scalar temperature_;
+ Scalar temperature_[numPhases];
// For porous medium flow models, here we ... the index of the wetting
// phase (needed for vapor pressure evaluation if kelvin equation is used)
diff --git a/dumux/material/fluidstates/immiscible.hh b/dumux/material/fluidstates/immiscible.hh
index 8688eb646f..4496472eb1 100644
--- a/dumux/material/fluidstates/immiscible.hh
+++ b/dumux/material/fluidstates/immiscible.hh
@@ -211,7 +211,7 @@ public:
* \brief The absolute temperature\f$T_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[K]}\f$
*/
Scalar temperature(int phaseIdx) const
- { return temperature_; }
+ { return temperature_[phaseIdx]; }
/*!
* \brief The pressure \f$p_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa]}\f$
@@ -250,7 +250,7 @@ public:
* \brief The temperature within the domain \f$\mathrm{[K]}\f$
*/
Scalar temperature() const
- { return temperature_; }
+ { return temperature_[0]; }
/*!
* \brief The fugacity of a component \f$\mathrm{[Pa]}\f$
@@ -285,15 +285,25 @@ public:
density_[phaseIdx] = fs.density(phaseIdx);
enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
+ temperature_[phaseIdx] = fs.temperature(0);
}
- temperature_ = fs.temperature(0);
+
}
+ /*!
+ * \brief Set the temperature \f$\mathrm{[K]}\f$ of a fluid phase
+ */
+ void setTemperature(int phaseIdx, Scalar value)
+ { temperature_[phaseIdx] = value; }
+
/*!
* \brief Set the temperature \f$\mathrm{[K]}\f$ of a fluid phase
*/
void setTemperature(Scalar value)
- { temperature_ = value; }
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ temperature_[phaseIdx] = value;
+ }
/*!
* \brief Set the fluid pressure of a phase \f$\mathrm{[Pa]}\f$
@@ -357,7 +367,7 @@ protected:
Scalar density_[numPhases];
Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
- Scalar temperature_;
+ Scalar temperature_[numPhases];
};
} // end namespace Dumux
diff --git a/dumux/material/fluidstates/nonequilibrium.hh b/dumux/material/fluidstates/nonequilibrium.hh
index d90281815d..0fa62dea73 100644
--- a/dumux/material/fluidstates/nonequilibrium.hh
+++ b/dumux/material/fluidstates/nonequilibrium.hh
@@ -68,6 +68,13 @@ public:
* Generic access to fluid properties (No assumptions
* on thermodynamic equilibrium required)
*****************************************************/
+ /*!
+ * \brief Returns the index of the wetting phase in the
+ * fluid-solid configuration (for porous medium systems).
+ *
+ * \param phaseIdx the index of the phase
+ */
+ int wettingPhase() const { return wPhaseIdx_; }
/*!
* \brief Returns the saturation \f$S_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$.
*
@@ -221,6 +228,15 @@ public:
Scalar pressure(int phaseIdx) const
{ return pressure_[phaseIdx]; }
+ /*!
+ * \brief The partial pressure of a component in a phase \f$\mathrm{[Pa]}\f$
+ */
+ Scalar partialPressure(int phaseIdx, int compIdx) const
+ {
+ assert(FluidSystem::isGas(phaseIdx));
+ return moleFraction(phaseIdx, compIdx) * pressure(phaseIdx);
+ }
+
/*!
* \brief The specific enthalpy \f$h_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[J/kg]}\f$
*/
@@ -311,6 +327,41 @@ public:
}
}
+ /*!
+ * \brief Set the mass fraction of a component in a phase \f$\mathrm{[-]}\f$
+ * and update the average molar mass \f$\mathrm{[kg/mol]}\f$ according
+ * to the current composition of the phase
+ */
+ void setMassFraction(int phaseIdx, int compIdx, Scalar value)
+ {
+ Valgrind::CheckDefined(value);
+ Valgrind::SetDefined(sumMoleFractions_[phaseIdx]);
+ Valgrind::SetDefined(averageMolarMass_[phaseIdx]);
+ Valgrind::SetDefined(moleFraction_[phaseIdx][compIdx]);
+
+ if (numComponents != 2)
+ DUNE_THROW(Dune::NotImplemented, "This currently only works for 2 components.");
+ else
+ {
+ // calculate average molar mass of the gas phase
+ Scalar M1 = FluidSystem::molarMass(compIdx);
+ Scalar M2 = FluidSystem::molarMass(1-compIdx);
+ Scalar X2 = 1.0-value;
+ Scalar avgMolarMass = M1*M2/(M2 + X2*(M1 - M2));
+
+ moleFraction_[phaseIdx][compIdx] = value * avgMolarMass / M1;
+ moleFraction_[phaseIdx][1-compIdx] = 1.0-moleFraction_[phaseIdx][compIdx];
+
+ // re-calculate the mean molar mass
+ sumMoleFractions_[phaseIdx] = 0.0;
+ averageMolarMass_[phaseIdx] = 0.0;
+ for (int compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
+ sumMoleFractions_[phaseIdx] += moleFraction_[phaseIdx][compJIdx];
+ averageMolarMass_[phaseIdx] += moleFraction_[phaseIdx][compJIdx]*FluidSystem::molarMass(compJIdx);
+ }
+ }
+ }
+
/*!
* \brief Set the fugacity of a component in a phase \f$\mathrm{[-]}\f$
*/
@@ -335,6 +386,12 @@ public:
void setViscosity(int phaseIdx, Scalar value)
{ viscosity_[phaseIdx] = value; }
+ /*!
+ * \brief Set the index of the wetting phase
+ */
+ void setWettingPhase(int phaseIdx)
+ { wPhaseIdx_ = phaseIdx; }
+
/*!
* \brief Retrieve all parameters from an arbitrary fluid
* state.
@@ -402,6 +459,10 @@ protected:
Scalar viscosity_[numPhases];
Scalar temperature_[numPhases]; //
Scalar temperatureEquil_;
+
+ // For porous medium flow models, here we ... the index of the wetting
+ // phase (needed for vapor pressure evaluation if kelvin equation is used)
+ int wPhaseIdx_{0};
};
} // end namespace Dumux
--
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