diff --git a/dumux/material/components/air.hh b/dumux/material/components/air.hh
index a6d212bc7e7b435ce02d8d60ccd2db2cc1beea90..196b3a207ebc14d1853dbcde02b9be811c7df0ff 100644
--- a/dumux/material/components/air.hh
+++ b/dumux/material/components/air.hh
@@ -87,6 +87,15 @@ public:
return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of air in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true, the gas phase is assumed to be compressible
*/
diff --git a/dumux/material/components/benzene.hh b/dumux/material/components/benzene.hh
index 0d81c39326e0d065fa327183c34b332180232952..d08f1b6388598e3c221f093d1651f806bdcae8ca 100644
--- a/dumux/material/components/benzene.hh
+++ b/dumux/material/components/benzene.hh
@@ -45,7 +45,7 @@ class Benzene
, public Components::Liquid<Scalar, Benzene<Scalar> >
, public Components::Gas<Scalar, Benzene<Scalar> >
{
-
+ using IdealGas = Dumux::IdealGas<Scalar>;
public:
/*!
* \brief A human readable name for the benzene
@@ -67,11 +67,20 @@ public:
*/
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
- return IdealGas<Scalar>::density(molarMass(),
- temperature,
- pressure);
+ return IdealGas::density(molarMass(),
+ temperature,
+ pressure);
}
+ /*!
+ * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief The density of pure benzene at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
*
@@ -80,7 +89,18 @@ public:
*/
static Scalar liquidDensity(Scalar temperature, Scalar pressure)
{
- return 889.51; // [kg/m^3]
+ return 889.51;
+ }
+
+ /*!
+ * \brief The molar density of pure benzene at a given pressure and temperature \f$\mathrm{[mol/m^3]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ {
+ return liquidDensity(temperature, pressure)/molarMass();
}
/*!
diff --git a/dumux/material/components/brine.hh b/dumux/material/components/brine.hh
index e543ad1065b263a0da63c2a7b94872b31ea189f9..422bee5dae03103d7293875bd0d4d94dd6511ee2 100644
--- a/dumux/material/components/brine.hh
+++ b/dumux/material/components/brine.hh
@@ -57,6 +57,9 @@ public:
//HACK: If salinity is a pseudo-component, a constat value is used
static Scalar constantSalinity;
+ //! The ideal gas constant \f$\mathrm{[J/mol/K]}\f$
+ static constexpr Scalar R = Constants<Scalar>::R;
+
/*!
* \brief A human readable name for the brine.
*/
@@ -72,8 +75,7 @@ public:
{
const Scalar M1 = H2O::molarMass();
const Scalar M2 = Components::NaCl<Scalar>::molarMass(); // molar mass of NaCl [kg/mol]
- const Scalar X2 = salinity; // mass fraction of salt in brine
- return M1*M2/(M2 + X2*(M1 - M2));
+ return M1*M2/(M2 + salinity*(M1 - M2));
};
/*!
@@ -106,8 +108,19 @@ public:
*
* \param T temperature of component in \f$\mathrm{[K]}\f$
*/
- static Scalar vaporPressure(Scalar T)
- { return H2O::vaporPressure(T); }
+ static Scalar vaporPressure(Scalar temperature, Scalar salinity = constantSalinity)
+ {
+ Scalar ps = H2O::vaporPressure(temperature); //Saturation vapor pressure for pure water
+ Scalar pi = 0;
+ using std::log;
+ if (salinity < 0.26) // here we have hard coded the solubility limit for NaCl
+ pi = (R * temperature * log(1- salinity)); // simplified version of Eq 2.29 in Vishal Jambhekar's Promo
+ else
+ pi = (R * temperature * log(0.74));
+ using std::exp;
+ ps *= exp((pi)/(R*temperature));// Kelvin's law for reduction in saturation vapor pressure due to osmotic potential
+ return ps;
+ }
/*!
* \brief Specific enthalpy of gaseous brine \f$\mathrm{[J/kg]}\f$.
@@ -241,8 +254,8 @@ public:
Scalar pressure, Scalar salinity = constantSalinity)
{
return
- liquidEnthalpy(temperature, pressure) -
- pressure/liquidDensity(temperature, pressure);
+ liquidEnthalpy(temperature, pressure, salinity) -
+ pressure/liquidDensity(temperature, pressure, salinity);
}
/*!
@@ -254,6 +267,17 @@ public:
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{ return H2O::gasDensity(temperature, pressure); }
+ /*!
+ * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ * We take the value of the H2O gas molar density here because salt is not in the gas phase.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return H2O::gasMolarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
@@ -309,6 +333,16 @@ public:
return density;
}
+ /*!
+ * \brief The molar density of brine in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure, Scalar salinity = constantSalinity)
+ { return liquidDensity(temperature, pressure, salinity)/molarMass(salinity); }
+
/*!
* \brief The pressure of steam in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
*
@@ -331,18 +365,18 @@ public:
// We use the Newton method for this. For the initial value we
// assume the pressure to be 10% higher than the vapor
// pressure
- Scalar pressure = 1.1*vaporPressure(temperature);
+ Scalar pressure = 1.1*vaporPressure(temperature, salinity);
const Scalar eps = pressure*1e-7;
Scalar deltaP = pressure*2;
using std::abs;
for (int i = 0; i < 5 && abs(pressure*1e-9) < abs(deltaP); ++i) {
- Scalar f = liquidDensity(temperature, pressure) - density;
+ Scalar f = liquidDensity(temperature, pressure, salinity) - density;
Scalar df_dp;
- df_dp = liquidDensity(temperature, pressure + eps);
- df_dp -= liquidDensity(temperature, pressure - eps);
+ df_dp = liquidDensity(temperature, pressure + eps, salinity);
+ df_dp -= liquidDensity(temperature, pressure - eps, salinity);
df_dp /= 2*eps;
deltaP = - f/df_dp;
diff --git a/dumux/material/components/cao.hh b/dumux/material/components/cao.hh
index 320b29865ed67526d2aa405efc756f394547e26b..46d235f1da26673b1524ed27f64e582a6110badc 100644
--- a/dumux/material/components/cao.hh
+++ b/dumux/material/components/cao.hh
@@ -69,6 +69,15 @@ public:
return 3370;
}
+ /*!
+ * \brief The molar density \f$\mathrm{[mol/m^3]}\f$ of CaO.
+ * Molar density at 293 K. Literature value from Shao et al. (2013).
+ */
+ static Scalar solidMolarDensity(Scalar temperature)
+ {
+ return solidDensity(temperature)/molarMass();
+ }
+
/*!
* \brief The specific heat capacity \f$\mathrm{[J/kg K]}\f$ of CaO.
*/
diff --git a/dumux/material/components/cao2h2.hh b/dumux/material/components/cao2h2.hh
index d70baffe7843cf02097112117b5dcb2820605fd1..b972105db8a4b102f9f99efc5bae8f14387cae38 100644
--- a/dumux/material/components/cao2h2.hh
+++ b/dumux/material/components/cao2h2.hh
@@ -70,6 +70,15 @@ public:
return 2200.0; //at 293 K ; Shao et al. (2013)
}
+ /*!
+ * \brief The molar density \f$\mathrm{[mol/m^3]}\f$ of CaO2H2.
+ * Molar density at 293 K. Literature value from Shao et al. (2013).
+ */
+ static Scalar solidMolarDensity(Scalar temperature)
+ {
+ return solidDensity(temperature)/molarMass();
+ }
+
/*!
* \brief The specific heat capacity \f$\mathrm{[J/kgK]}\f$ of CaO2H2.
*/
diff --git a/dumux/material/components/ch4.hh b/dumux/material/components/ch4.hh
index 85e9cb307bfd9826153c9f0d8c187967b72eb33d..6011d61751ad5c3455727ffc29a0fa95f7279354 100644
--- a/dumux/material/components/ch4.hh
+++ b/dumux/material/components/ch4.hh
@@ -110,6 +110,15 @@ public:
return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of \f$CH_4\f$ gas in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
diff --git a/dumux/material/components/co2.hh b/dumux/material/components/co2.hh
index feef02dbd32beacc63c95ea41d22f205ec61adec..940803413a7cd432fec968e9332b3b058184cf2c 100644
--- a/dumux/material/components/co2.hh
+++ b/dumux/material/components/co2.hh
@@ -227,6 +227,16 @@ public:
return CO2Tables::tabulatedDensity.at(temperature, pressure);
}
+ /*!
+ * \brief The molar density of CO2 gas in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return gasDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The density of pure CO2 at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
* \param temperature the temperature \f$\mathrm{[K]}\f$
@@ -242,6 +252,17 @@ public:
}
return CO2Tables::tabulatedDensity.at(temperature, pressure);
}
+
+ /*!
+ * \brief The molar density of CO2 in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The pressure of steam in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
*
diff --git a/dumux/material/components/constant.hh b/dumux/material/components/constant.hh
index ce14c3f2ae8fa740ff1f32b9809de9a5fef86779..03cbc8a128d0d52dc232ffbe4d46f6d1e507b9c3 100644
--- a/dumux/material/components/constant.hh
+++ b/dumux/material/components/constant.hh
@@ -118,6 +118,16 @@ public:
return density;
}
+ /*!
+ * \brief The molar density in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief Sets the liquid dynamic viscosity in \f$\mathrm{[Pa*s]}\f$.
*
@@ -145,6 +155,17 @@ public:
return density;
}
+ /*!
+ * \brief The molar density in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return gasDensity(temperature, pressure)/molarMass(); }
+
+
/*!
* \brief Sets the gas dynamic viscosity in \f$\mathrm{[Pa*s]}\f$.
*
diff --git a/dumux/material/components/gas.hh b/dumux/material/components/gas.hh
index 0dea8837a51be446067dbd08899d07328fdafed8..7c1fef38ffdb408abf006cf2b1f9b4c23c71953e 100644
--- a/dumux/material/components/gas.hh
+++ b/dumux/material/components/gas.hh
@@ -80,6 +80,20 @@ public:
DUNE_THROW(Dune::NotImplemented, "gasDensity(t,p)");
}
+ /*!
+ * \brief The molar density in \f$\mathrm{[mol/m^3]}\f$ of the component at a given pressure in
+ * \f$\mathrm{[Pa]}\f$ and temperature in \f$\mathrm{[K]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ template<class C = Component>
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ {
+ static_assert(AlwaysFalse<C>::value, "Mandatory function not implemented: gasMolarDensity(t,p)");
+ DUNE_THROW(Dune::NotImplemented, "gasMolarDensity(t,p)");
+ }
+
/*!
* \brief Specific enthalpy \f$\mathrm{[J/kg]}\f$ of the pure component in gas.
*
diff --git a/dumux/material/components/h2.hh b/dumux/material/components/h2.hh
index 9b4c619896addcc90e101a68b851ed4b96905189..18fa7907c132e2e0667cc8a1cd6ed30d0eda885d 100644
--- a/dumux/material/components/h2.hh
+++ b/dumux/material/components/h2.hh
@@ -121,6 +121,15 @@ public:
return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of \f$H_2\f$ in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be compressible
*/
diff --git a/dumux/material/components/h2o.hh b/dumux/material/components/h2o.hh
index 2cffd8829b25784855de3b162941489eea882959..137e6862ec86dfdce84e8b9b6f3393a0ca26687b 100644
--- a/dumux/material/components/h2o.hh
+++ b/dumux/material/components/h2o.hh
@@ -545,6 +545,16 @@ public:
return 1.0/volumeRegion2_(temperature, pressure);
}
+ /*!
+ * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return gasDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
@@ -650,6 +660,16 @@ public:
return 1/volumeRegion1_(temperature, pressure);
}
+ /*!
+ * \brief The molar density of water in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The pressure of liquid water in \f$\mathrm{[Pa]}\f$ at a given density and
* temperature.
diff --git a/dumux/material/components/heavyoil.hh b/dumux/material/components/heavyoil.hh
index 332d55a6a0620532d4eab3dafff961952103754c..8dd4653f26ac00e2f8848adfcd9a045df8318bbd 100644
--- a/dumux/material/components/heavyoil.hh
+++ b/dumux/material/components/heavyoil.hh
@@ -48,7 +48,7 @@ class HeavyOil
, public Components::Gas<Scalar, HeavyOil<Scalar> >
{
using Consts = Dumux::Constants<Scalar>;
-
+ using IdealGas = Dumux::IdealGas<Scalar>;
public:
/*!
* \brief A human readable name for heavyoil
@@ -340,11 +340,20 @@ public:
*/
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
- return IdealGas<Scalar>::density(molarMass(),
+ return IdealGas::density(molarMass(),
temperature,
pressure);
}
+ /*!
+ * \brief The molar density of pure heavyoil in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief The density of pure heavyoil at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
*
@@ -364,6 +373,16 @@ public:
return rho; // [kg/m^3]
}
+ /*!
+ * \brief The molar density of pure heavyoil in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief Returns true if the gas phase is assumed to be compressible
*/
@@ -464,31 +483,6 @@ public:
{
return 0.127;
}
-
-protected:
- /*!
- * \brief The molar density of pure heavyoil at a given pressure and temperature
- * \f$\mathrm{[mol/m^3]}\f$.
- *
- * source : Reid et al. (fourth edition): Modified Racket technique (chap. 3-11, eq. 3-11.9)
- *
- * \param temperature temperature of component in \f$\mathrm{[K]}\f$
- */
- static Scalar molarLiquidDensity_(Scalar temperature)
- {
- using std::min;
- using std::max;
- temperature = min(temperature, 500.0); // regularization
- temperature = max(temperature, 250.0);
-
- using std::pow;
- const Scalar Z_RA = 0.2556; // from equation
- const Scalar expo = 1.0 + pow(1.0 - temperature/criticalTemperature(), 2.0/7.0);
- Scalar V = Consts::R*criticalTemperature()/criticalPressure()*pow(Z_RA, expo); // liquid molar volume [cm^3/mol]
-
- return 1.0/V; // molar density [mol/m^3]
- }
-
};
} // end namespace Components
diff --git a/dumux/material/components/liquid.hh b/dumux/material/components/liquid.hh
index 171cae6a692880405d8e0e8b1d86921cedca7783..ef11d214492ce90d52a0bb4eb3bdad6625df1546 100644
--- a/dumux/material/components/liquid.hh
+++ b/dumux/material/components/liquid.hh
@@ -70,6 +70,20 @@ public:
DUNE_THROW(Dune::NotImplemented, "liquidDensity(t,p)");
}
+ /*!
+ * \brief The molar density \f$\mathrm{[mole/m^3]}\f$ of the liquid component at a given pressure in
+ * \f$\mathrm{[Pa]}\f$ and temperature in \f$\mathrm{[K]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ template<class C = Component>
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ {
+ static_assert(AlwaysFalse<C>::value, "Mandatory function not implemented: liquidMolarDensity(t,p)");
+ DUNE_THROW(Dune::NotImplemented, "Component::liquidMolarDensity(t,p)");
+ }
+
/*!
* \brief The dynamic liquid viscosity \f$\mathrm{[Pa*s]}\f$ of the pure component.
*
diff --git a/dumux/material/components/mesitylene.hh b/dumux/material/components/mesitylene.hh
index 33cf0af734443106064d9ccd8d9a09b2833e97f4..ec732d2d10e1b3d17a302cfe94e1edf333847268 100644
--- a/dumux/material/components/mesitylene.hh
+++ b/dumux/material/components/mesitylene.hh
@@ -48,7 +48,7 @@ class Mesitylene
, public Components::Gas<Scalar, Mesitylene<Scalar> >
{
using Consts = Constants<Scalar>;
-
+ using IdealGas = Dumux::IdealGas<Scalar>;
public:
/*!
* \brief A human readable name for the mesitylene
@@ -206,11 +206,20 @@ public:
*/
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
- return IdealGas<Scalar>::density(molarMass(),
- temperature,
- pressure);
+ return IdealGas::density(molarMass(),
+ temperature,
+ pressure);
}
+ /*!
+ * \brief The molar density of mesitylene in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief The density of pure mesitylene at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
*
@@ -219,7 +228,31 @@ public:
*/
static Scalar liquidDensity(Scalar temperature, Scalar pressure)
{
- return molarLiquidDensity_(temperature)*molarMass(); // [kg/m^3]
+ return liquidMolarDensity(temperature, pressure)*molarMass();
+ }
+
+ /*!
+ * \brief The molar density of pure mesitylene at a given pressure and temperature
+ * \f$\mathrm{[mol/m^3]}\f$.
+ *
+ * source : Reid et al. (1987, Modified Racket technique (chap. 3-11, eq. 3-11.9)) \cite reid1987
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ {
+ using std::min;
+ using std::max;
+ temperature = min(temperature, 500.0); // regularization
+ temperature = max(temperature, 250.0);
+
+ const Scalar Z_RA = 0.2556; // from equation
+
+ using std::pow;
+ const Scalar expo = 1.0 + pow(1.0 - temperature/criticalTemperature(), 2.0/7.0);
+ Scalar V = Consts::R*criticalTemperature()/criticalPressure()*pow(Z_RA, expo); // liquid molar volume [cm^3/mol]
+
+ return 1.0/V; // molar density [mol/m^3]
}
/*!
@@ -347,32 +380,6 @@ public:
{
return 0.1351;
}
-
-protected:
- /*!
- * \brief The molar density of pure mesitylene at a given pressure and temperature
- * \f$\mathrm{[mol/m^3]}\f$.
- *
- * source : Reid et al. (1987, Modified Racket technique (chap. 3-11, eq. 3-11.9)) \cite reid1987
- *
- * \param temperature temperature of component in \f$\mathrm{[K]}\f$
- */
- static Scalar molarLiquidDensity_(Scalar temperature)
- {
- using std::min;
- using std::max;
- temperature = min(temperature, 500.0); // regularization
- temperature = max(temperature, 250.0);
-
- const Scalar Z_RA = 0.2556; // from equation
-
- using std::pow;
- const Scalar expo = 1.0 + pow(1.0 - temperature/criticalTemperature(), 2.0/7.0);
- Scalar V = Consts::R*criticalTemperature()/criticalPressure()*pow(Z_RA, expo); // liquid molar volume [cm^3/mol]
-
- return 1.0/V; // molar density [mol/m^3]
- }
-
};
} // end namespace Components
diff --git a/dumux/material/components/n2.hh b/dumux/material/components/n2.hh
index 0df4f76e572af7661e161a6355805969c0311606..04a953e6b769f3dd3affb98243fa99ff860a731c 100644
--- a/dumux/material/components/n2.hh
+++ b/dumux/material/components/n2.hh
@@ -133,6 +133,16 @@ public:
return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of \f$N_2\f$ gas in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be compressible
*/
diff --git a/dumux/material/components/nacl.hh b/dumux/material/components/nacl.hh
index cb7d7d62528c013eb8e974aa39575b518f37f573..4fd0e1071d6a5a5cabbc1f12c81bec6f77ee849e 100644
--- a/dumux/material/components/nacl.hh
+++ b/dumux/material/components/nacl.hh
@@ -81,6 +81,14 @@ public:
return 2165.0;
}
+ /*!
+ * \brief The mass density \f$\mathrm{[kg/m^3]}\f$ of NaCl.
+ */
+ static Scalar solidMolarDensity(Scalar temperature)
+ {
+ return solidDensity(temperature)/molarMass();
+ }
+
/*!
* \brief The specific heat capacity \f$\mathrm{[J/molK]}\f$ of NaCl.
*/
diff --git a/dumux/material/components/o2.hh b/dumux/material/components/o2.hh
index 95c75bc5c650c76d8117674df9d5ed6bd0cb5bdb..6f27a752d4dfd46f3f4ffe35a58f93108eb5d92b 100644
--- a/dumux/material/components/o2.hh
+++ b/dumux/material/components/o2.hh
@@ -137,6 +137,15 @@ public:
return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of pure \f$O_2\f$ in \f$\mathrm{[mol/m^3]}\f$,
+ * depending on pressure and temperature.
+ * \param temperature The temperature of the gas
+ * \param pressure The pressure of the gas
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
diff --git a/dumux/material/components/simpleh2o.hh b/dumux/material/components/simpleh2o.hh
index f01aef360df47f73b8f123558633805dc17fdadc..c6f34a39e293c7f86c1acc90082f2a792b0e07ab 100644
--- a/dumux/material/components/simpleh2o.hh
+++ b/dumux/material/components/simpleh2o.hh
@@ -219,9 +219,19 @@ public:
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
// Assume an ideal gas
- return molarMass()*IdealGas::molarDensity(temperature, pressure);
+ return IdealGas::density(molarMass(), temperature, pressure);
}
+ /*!
+ * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
@@ -251,6 +261,16 @@ public:
return 1000.;
}
+ /*!
+ * \brief The molar density of pure water in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The pressure of water in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
*
diff --git a/dumux/material/components/tabulatedcomponent.hh b/dumux/material/components/tabulatedcomponent.hh
index 103c82cd9df9b1296bbda816a8d8c61cbdc8f8d6..36f828245d10dd1a4ad946e979c94dd6d7e71cd7 100644
--- a/dumux/material/components/tabulatedcomponent.hh
+++ b/dumux/material/components/tabulatedcomponent.hh
@@ -447,6 +447,17 @@ public:
return result;
}
+ /*!
+ * \brief The molar density of gas in \f$\mathrm{[mol/m^3]}\f$
+ * at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return gasDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The density of liquid at a given pressure and
* temperature \f$\mathrm{[kg/m^3]}\f$.
@@ -480,6 +491,17 @@ public:
return result;
}
+ /*!
+ * \brief The molar density of liquid in \f$\mathrm{[mol/m^3]}\f$
+ * at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of gas.
*
diff --git a/dumux/material/components/trichloroethene.hh b/dumux/material/components/trichloroethene.hh
index 41bd5aa1957ff4feac1b88eb1c0f8007575c6078..d1364126ec054a0c4649acd4dc006c942b7ef763 100644
--- a/dumux/material/components/trichloroethene.hh
+++ b/dumux/material/components/trichloroethene.hh
@@ -45,6 +45,7 @@ class Trichloroethene
, public Components::Liquid<Scalar, Trichloroethene<Scalar> >
, public Components::Gas<Scalar, Trichloroethene<Scalar> >
{
+ typedef Dumux::IdealGas<Scalar> IdealGas;
public:
/*!
@@ -130,11 +131,21 @@ public:
*/
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
- return IdealGas<Scalar>::density(molarMass(),
- temperature,
- pressure);
+ return IdealGas::density(molarMass(),
+ temperature,
+ pressure);
}
+ /*!
+ * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
+
/*!
* \brief Returns true if the gas phase is assumed to be ideal
*/
@@ -152,6 +163,16 @@ public:
return 1460.0; // [kg/m^3]
}
+ /*!
+ * \brief The molar density of pure TCE in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ */
+ static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure)
+ { return liquidDensity(temperature, pressure)/molarMass(); }
+
/*!
* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure TCE.
*
diff --git a/dumux/material/components/xylene.hh b/dumux/material/components/xylene.hh
index aa88cc20b314fd94c66dda4d588a23433df153e2..050612a15ae64605089f3278cabe621c5875d6a9 100644
--- a/dumux/material/components/xylene.hh
+++ b/dumux/material/components/xylene.hh
@@ -48,6 +48,7 @@ class Xylene
, public Components::Gas<Scalar, Xylene<Scalar> >
{
using Consts = Constants<Scalar>;
+ using IdealGas = Dumux::IdealGas<Scalar>;
public:
/*!
@@ -247,9 +248,9 @@ public:
*/
static Scalar gasDensity(Scalar temperature, Scalar pressure)
{
- return IdealGas<Scalar>::density(molarMass(),
- temperature,
- pressure);
+ return IdealGas::density(molarMass(),
+ temperature,
+ pressure);
}
/*!
@@ -258,10 +259,8 @@ public:
* \param temperature temperature of component in \f$\mathrm{[K]}\f$
* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
*/
- static Scalar molarGasDensity(Scalar temperature, Scalar pressure)
- {
- return (gasDensity(temperature, pressure) / molarMass());
- }
+ static Scalar gasMolarDensity(Scalar temperature, Scalar pressure)
+ { return IdealGas::molarDensity(temperature, pressure); }
/*!
* \brief The molar liquid density of pure xylene at a given pressure and temperature
@@ -272,7 +271,7 @@ public:
* \param temp temperature of component in \f$\mathrm{[K]}\f$
* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
*/
- static Scalar molarLiquidDensity(Scalar temp, Scalar pressure)
+ static Scalar liquidMolarDensity(Scalar temp, Scalar pressure)
{
// saturated molar volume according to Lide, CRC Handbook of
// Thermophysical and Thermochemical Data, CRC Press, 1994
@@ -299,7 +298,7 @@ public:
*/
static Scalar liquidDensity(Scalar temperature, Scalar pressure)
{
- return molarLiquidDensity(temperature, pressure)*molarMass(); // [kg/m^3]
+ return liquidMolarDensity(temperature, pressure)*molarMass();
}
/*!