From a53dd95e3d78ea321c65526b2f1ad35fa0a196f7 Mon Sep 17 00:00:00 2001
From: Katharina Heck <katharina.heck@iws.uni-stuttgart.de>
Date: Wed, 14 Mar 2018 16:37:19 +0100
Subject: [PATCH] [material][fluidstates] add molar density in fluidstate
Co-authored-by: Simon Scholz simon.scholz@iws.uni-stuttgart.de
Co-authored-by: Beatrix Becker beatrix.becker@iws.uni-stuttgart.de
---
dumux/material/fluidstates/2p2c.hh | 16 +++++++--
dumux/material/fluidstates/compositional.hh | 19 ++++++----
dumux/material/fluidstates/immiscible.hh | 11 +++++-
.../fluidstates/isothermalimmiscible.hh | 11 +++++-
dumux/material/fluidstates/nonequilibrium.hh | 11 +++++-
dumux/material/fluidstates/pseudo1p2c.hh | 36 ++++++++++++-------
6 files changed, 80 insertions(+), 24 deletions(-)
diff --git a/dumux/material/fluidstates/2p2c.hh b/dumux/material/fluidstates/2p2c.hh
index 91d746422e..27258cb39f 100644
--- a/dumux/material/fluidstates/2p2c.hh
+++ b/dumux/material/fluidstates/2p2c.hh
@@ -120,8 +120,12 @@ public:
Scalar density(int phaseIdx) const
{ return density_[phaseIdx]; }
- /*!
- * \brief The dynamic viscosity \f$\mu_\alpha\f$ of fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa s]}\f$
+ /*! @copydoc CompositionalFluidState::molarDensity()
+ */
+ Scalar molarDensity(int phaseIdx) const
+ { return molarDensity_[phaseIdx]; }
+
+ /*! @copydoc CompositionalFluidState::viscosity()
*/
Scalar viscosity(int phaseIdx) const
{ return viscosity_[phaseIdx]; }
@@ -246,6 +250,13 @@ public:
*/
void setDensity(int phaseIdx, Scalar value)
{ density_[phaseIdx] = value; }
+
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[mol / m^3]}\f$
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ { molarDensity_[phaseIdx] = value; }
+
/*!
* \brief Sets the saturation of a phase.
* Internally, only the wetting saturation is stored.
@@ -299,6 +310,7 @@ protected:
Scalar sw_;
PhaseVector nu_; //phase mass fraction
Scalar density_[numPhases];
+ Scalar molarDensity_[numPhases];
Scalar viscosity_[numPhases];
Scalar massFraction_[numPhases][numComponents];
Scalar moleFraction_[numPhases][numComponents];
diff --git a/dumux/material/fluidstates/compositional.hh b/dumux/material/fluidstates/compositional.hh
index f1eed0374f..7706a45e1e 100644
--- a/dumux/material/fluidstates/compositional.hh
+++ b/dumux/material/fluidstates/compositional.hh
@@ -194,15 +194,11 @@ public:
{ return density_[phaseIdx]; }
/*!
- * \brief The molar density \f$\rho_{mol,\alpha}\f$
- * of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$
- *
- * The molar density is defined by the mass density \f$\rho_\alpha\f$ and the mean molar mass \f$\overline M_\alpha\f$:
- *
- * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f]
+ * \brief The molar density \f$\rho_\alpha\f$ of the fluid phase
+ * \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$
*/
Scalar molarDensity(int phaseIdx) const
- { return density_[phaseIdx]/averageMolarMass(phaseIdx); }
+ { return molarDensity_[phaseIdx]; }
/*!
* \brief The absolute temperature\f$T_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[K]}\f$
@@ -298,6 +294,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
+ molarDensity_[phaseIdx] = fs.molarDensity(phaseIdx);
enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
}
@@ -427,6 +424,12 @@ public:
void setDensity(int phaseIdx, Scalar value)
{ density_[phaseIdx] = value; }
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[mol / m^3]}\f$
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ { molarDensity_[phaseIdx] = value; }
+
/*!
* \brief Set the specific enthalpy of a phase\f$\mathrm{[J/kg]}\f$
*/
@@ -465,6 +468,7 @@ public:
Valgrind::CheckDefined(pressure_[phaseIdx]);
Valgrind::CheckDefined(saturation_[phaseIdx]);
Valgrind::CheckDefined(density_[phaseIdx]);
+ Valgrind::CheckDefined(molarDensity_[phaseIdx]);
Valgrind::CheckDefined(enthalpy_[phaseIdx]);
Valgrind::CheckDefined(viscosity_[phaseIdx]);
}
@@ -482,6 +486,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
+ Scalar molarDensity_[numPhases];
Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_[numPhases];
diff --git a/dumux/material/fluidstates/immiscible.hh b/dumux/material/fluidstates/immiscible.hh
index 4496472eb1..2cb491eeb0 100644
--- a/dumux/material/fluidstates/immiscible.hh
+++ b/dumux/material/fluidstates/immiscible.hh
@@ -205,7 +205,7 @@ public:
* \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f]
*/
Scalar molarDensity(int phaseIdx) const
- { return density_[phaseIdx]/averageMolarMass(phaseIdx); }
+ { return molarDensity_[phaseIdx]; }
/*!
* \brief The absolute temperature\f$T_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[K]}\f$
@@ -283,6 +283,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
+ molarDensity_[phaseIdx] = fs.molarDensity(phaseIdx);
enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
temperature_[phaseIdx] = fs.temperature(0);
@@ -323,6 +324,12 @@ public:
void setDensity(int phaseIdx, Scalar value)
{ density_[phaseIdx] = value; }
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[kg/m^3]}\f$
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ { molarDensity_[phaseIdx] = value; }
+
/*!
* \brief Set the specific enthalpy of a phase \f$\mathrm{[J/kg]}\f$
*/
@@ -353,6 +360,7 @@ public:
Valgrind::CheckDefined(pressure_[i]);
Valgrind::CheckDefined(saturation_[i]);
Valgrind::CheckDefined(density_[i]);
+ Valgrind::CheckDefined(molarDensity_[i]);
//Valgrind::CheckDefined(internalEnergy_[i]);
Valgrind::CheckDefined(viscosity_[i]);
}
@@ -365,6 +373,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
+ Scalar molarDensity_[numPhases];
Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_[numPhases];
diff --git a/dumux/material/fluidstates/isothermalimmiscible.hh b/dumux/material/fluidstates/isothermalimmiscible.hh
index ba5b0e7eae..6f41a63c57 100644
--- a/dumux/material/fluidstates/isothermalimmiscible.hh
+++ b/dumux/material/fluidstates/isothermalimmiscible.hh
@@ -173,7 +173,7 @@ public:
* \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f]
*/
Scalar molarDensity(int phaseIdx) const
- { return density_[phaseIdx]/averageMolarMass(phaseIdx); }
+ { return molarDensity_[phaseIdx]; }
/*!
* \brief The temperature of a fluid phase \f$\mathrm{[K]}\f$
@@ -234,6 +234,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
+ molarDensity_[phaseIdx] = fs.molarDensity(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
}
temperature_ = fs.temperature(0);
@@ -263,6 +264,12 @@ public:
void setDensity(int phaseIdx, Scalar value)
{ density_[phaseIdx] = value; }
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[kg/m^3]}\f$
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ { molarDensity_[phaseIdx] = value; }
+
/*!
* \brief Set the dynamic viscosity of a phase \f$\mathrm{[Pa s]}\f$
*/
@@ -284,6 +291,7 @@ public:
Valgrind::CheckDefined(pressure_[i]);
Valgrind::CheckDefined(saturation_[i]);
Valgrind::CheckDefined(density_[i]);
+ Valgrind::CheckDefined(molarDensity_[i]);
Valgrind::CheckDefined(viscosity_[i]);
}
@@ -295,6 +303,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
+ Scalar molarDensity_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_;
};
diff --git a/dumux/material/fluidstates/nonequilibrium.hh b/dumux/material/fluidstates/nonequilibrium.hh
index 0fa62dea73..56e578642f 100644
--- a/dumux/material/fluidstates/nonequilibrium.hh
+++ b/dumux/material/fluidstates/nonequilibrium.hh
@@ -205,7 +205,7 @@ public:
* \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f]
*/
Scalar molarDensity(int phaseIdx) const
- { return density_[phaseIdx]/averageMolarMass(phaseIdx); }
+ { return molarDensity_[phaseIdx]; }
/*!
@@ -374,6 +374,12 @@ public:
void setDensity(int phaseIdx, Scalar value)
{ density_[phaseIdx] = value; }
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[kg / m^3]}\f$
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ { molarDensity_[phaseIdx] = value; }
+
/*!
* \brief Set the specific enthalpy of a phase \f$\mathrm{[J/m^3]}\f$
*/
@@ -413,6 +419,7 @@ public:
pressure_[phaseIdx] = fs.pressure(phaseIdx);
saturation_[phaseIdx] = fs.saturation(phaseIdx);
density_[phaseIdx] = fs.density(phaseIdx);
+ molarDensity_[phaseIdx] = fs.molarDensity(phaseIdx);
enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx);
viscosity_[phaseIdx] = fs.viscosity(phaseIdx);
temperature_[phaseIdx] = fs.temperature(phaseIdx);
@@ -439,6 +446,7 @@ public:
Valgrind::CheckDefined(pressure_[i]);
Valgrind::CheckDefined(saturation_[i]);
Valgrind::CheckDefined(density_[i]);
+ Valgrind::CheckDefined(molarDensity_[i]);
Valgrind::CheckDefined(temperature_[i]);
Valgrind::CheckDefined(enthalpy_[i]);
Valgrind::CheckDefined(viscosity_[i]);
@@ -455,6 +463,7 @@ protected:
Scalar pressure_[numPhases];
Scalar saturation_[numPhases];
Scalar density_[numPhases];
+ Scalar molarDensity_[numPhases];
Scalar enthalpy_[numPhases];
Scalar viscosity_[numPhases];
Scalar temperature_[numPhases]; //
diff --git a/dumux/material/fluidstates/pseudo1p2c.hh b/dumux/material/fluidstates/pseudo1p2c.hh
index 6a6b716867..16d76d3dcc 100644
--- a/dumux/material/fluidstates/pseudo1p2c.hh
+++ b/dumux/material/fluidstates/pseudo1p2c.hh
@@ -121,18 +121,18 @@ public:
}
/*!
- * \brief Returns the mass fraction \f$X^\kappa_\alpha\f$ of component \f$\kappa\f$ in fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$.
- *
- * The mass fraction \f$X^\kappa_\alpha\f$ is defined as the weight of all molecules of a
- * component divided by the total mass of the fluid phase. It is related with the component's mole fraction by means of the relation
- *
- * This is either set to 1 or 0 depending on the phase presence for the
- * non-wetting phase in general.
- * It is set to the mass fraction of water or 1-massFractionWater
- * if the considered component is the main component of the wetting phase.
- *
- * \param phaseIdx the index of the phase
- * \param compIdx the index of the component
+ * @copydoc CompositionalFluidState::molarDensity()
+ */
+ Scalar molarDensity(int phaseIdx) const
+ {
+ if(phaseIdx == presentPhaseIdx_)
+ return molarDensity_;
+ else
+ return 0.;
+ }
+
+ /*!
+ * @copydoc CompositionalFluidState::massFraction()
*/
Scalar massFraction(int phaseIdx, int compIdx) const
{
@@ -291,6 +291,17 @@ public:
assert(phaseIdx == presentPhaseIdx_);
density_ = value;
}
+ /*!
+ * \brief Set the molar density of a phase \f$\mathrm{[mol / m^3]}\f$
+ *
+ * \param phaseIdx the index of the phase
+ * @param value Value to be stored
+ */
+ void setMolarDensity(int phaseIdx, Scalar value)
+ {
+ assert(phaseIdx == presentPhaseIdx_);
+ molarDensity_ = value;
+ }
/*!
* \brief Sets the phase Index that is present in this fluidState.
* @param phaseIdx the index of the phase
@@ -349,6 +360,7 @@ protected:
Scalar moleFractionWater_;
Scalar pressure_[numPhases];
Scalar density_;
+ Scalar molarDensity_;
Scalar viscosity_;
Scalar enthalpy_;
Scalar temperature_;
--
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