diff --git a/dumux/material/components/h2o.hh b/dumux/material/components/h2o.hh
index 0d2ccdc20a13c8d656fc3f0b9875548d044954c3..0fd5d831b3b5900a90f1a518202b0760d7bc568b 100644
--- a/dumux/material/components/h2o.hh
+++ b/dumux/material/components/h2o.hh
@@ -771,7 +771,7 @@ public:
Scalar rho = gasDensity(temperature, pressure);
return Common::viscosity(temperature, rho);
- };
+ }
/*!
* \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure water.
@@ -795,7 +795,7 @@ public:
Scalar rho = liquidDensity(temperature, pressure);
return Common::viscosity(temperature, rho);
- };
+ }
/*!
* \brief Thermal conductivity \f$\mathrm{[[W/(m K)]}\f$ of water (IAPWS) .
@@ -814,10 +814,13 @@ public:
{
// Thermal conductivity of water is empirically fit.
// Evaluating that fitting-function outside the area of validity does not make sense.
- assert( (pressure <= 400e6 and ((273.15<=temperature) and (temperature<=398.15)) )
+ if( not ( (pressure <= 400e6 and ((273.15<=temperature) and (temperature<=398.15)) )
or (pressure <= 200e6 and ((398.15<temperature) and (temperature<=523.15)) )
or (pressure <= 150e6 and ((523.15<temperature) and (temperature<=673.15)) )
- or (pressure <= 100e6 and ((673.15<temperature) and (temperature<=1073.15)) ) );
+ or (pressure <= 100e6 and ((673.15<temperature) and (temperature<=1073.15)) ) ) ){
+ DUNE_THROW(NumericalProblem,
+ "Evaluating the IAPWS fit function for thermal conductivity outside range of applicability: p= " << pressure << "T= " << temperature);
+ }
Scalar rho = liquidDensity(temperature, pressure);
return Common::thermalConductivityIAPWS(temperature, rho);
@@ -840,10 +843,13 @@ public:
{
// Thermal conductivity of water is empirically fit.
// Evaluating that fitting-function outside the area of validity does not make sense.
- assert( (pressure <= 400e6 and ((273.15<=temperature) and (temperature<=398.15)) )
+ if( not ( (pressure <= 400e6 and ((273.15<=temperature) and (temperature<=398.15)) )
or (pressure <= 200e6 and ((398.15<temperature) and (temperature<=523.15)) )
or (pressure <= 150e6 and ((523.15<temperature) and (temperature<=673.15)) )
- or (pressure <= 100e6 and ((673.15<temperature) and (temperature<=1073.15)) ) );
+ or (pressure <= 100e6 and ((673.15<temperature) and (temperature<=1073.15)) ) ) ){
+ DUNE_THROW(NumericalProblem,
+ "Evaluating the IAPWS fit function for thermal conductivity outside range of applicability: p= " << pressure << " T= " << temperature);
+ }
Scalar rho = gasDensity(temperature, pressure);
return Common::thermalConductivityIAPWS(temperature, rho);
@@ -857,7 +863,7 @@ private:
Region1::tau(temperature) *
Region1::dgamma_dtau(temperature, pressure) *
Rs*temperature;
- };
+ }
// the unregularized specific isobaric heat capacity
static Scalar heatCap_p_Region1_(Scalar temperature, Scalar pressure)
@@ -866,7 +872,7 @@ private:
- pow(Region1::tau(temperature), 2 ) *
Region1::ddgamma_ddtau(temperature, pressure) *
Rs;
- };
+ }
// the unregularized specific isochoric heat capacity
static Scalar heatCap_v_Region1_(Scalar temperature, Scalar pressure)
@@ -879,7 +885,7 @@ private:
- pow(tau, 2 ) *
Region1::ddgamma_ddtau(temperature, pressure) * Rs +
diff;
- };
+ }
// the unregularized specific internal energy for liquid water
static Scalar internalEnergyRegion1_(Scalar temperature, Scalar pressure)
@@ -888,7 +894,7 @@ private:
Rs * temperature *
( Region1::tau(temperature)*Region1::dgamma_dtau(temperature, pressure) -
Region1::pi(pressure)*Region1::dgamma_dpi(temperature, pressure));
- };
+ }
// the unregularized specific volume for liquid water
static Scalar volumeRegion1_(Scalar temperature, Scalar pressure)
@@ -897,7 +903,7 @@ private:
Region1::pi(pressure)*
Region1::dgamma_dpi(temperature, pressure) *
Rs * temperature / pressure;
- };
+ }
// the unregularized specific enthalpy for steam
static Scalar enthalpyRegion2_(Scalar temperature, Scalar pressure)
@@ -906,7 +912,7 @@ private:
Region2::tau(temperature) *
Region2::dgamma_dtau(temperature, pressure) *
Rs*temperature;
- };
+ }
// the unregularized specific internal energy for steam
static Scalar internalEnergyRegion2_(Scalar temperature, Scalar pressure)
@@ -915,7 +921,7 @@ private:
Rs * temperature *
( Region2::tau(temperature)*Region2::dgamma_dtau(temperature, pressure) -
Region2::pi(pressure)*Region2::dgamma_dpi(temperature, pressure));
- };
+ }
// the unregularized specific isobaric heat capacity
static Scalar heatCap_p_Region2_(Scalar temperature, Scalar pressure)
@@ -924,7 +930,7 @@ private:
- pow(Region2::tau(temperature), 2 ) *
Region2::ddgamma_ddtau(temperature, pressure) *
Rs;
- };
+ }
// the unregularized specific isochoric heat capacity
static Scalar heatCap_v_Region2_(Scalar temperature, Scalar pressure)
@@ -937,7 +943,7 @@ private:
- pow(tau, 2 ) *
Region2::ddgamma_ddtau(temperature, pressure) * Rs
- diff;
- };
+ }
// the unregularized specific volume for steam
static Scalar volumeRegion2_(Scalar temperature, Scalar pressure)
@@ -946,7 +952,7 @@ private:
Region2::pi(pressure)*
Region2::dgamma_dpi(temperature, pressure) *
Rs * temperature / pressure;
- };
+ }
}; // end class
template <class Scalar>
diff --git a/dumux/material/components/mesitylene.hh b/dumux/material/components/mesitylene.hh
index 35afc8678dfdc7483e76730c263f411d28989922..a0aa8ffd1b22d18a55d9df75f623999618df2560 100644
--- a/dumux/material/components/mesitylene.hh
+++ b/dumux/material/components/mesitylene.hh
@@ -108,20 +108,29 @@ public:
* \param temperature temperature of component in \f$\mathrm{[K]}\f$
* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
*/
- static Scalar liquidEnthalpy(Scalar temperature, Scalar pressure)
+ static Scalar liquidEnthalpy(const Scalar temperature,
+ const Scalar pressure)
{
- // Gauss quadrature rule:
- // Interval: [0K; temperature (K)]
- // Gauss-Legendre-Integration with variable transformation:
- // \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
- // with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
- // here: a=0, b=actual temperature in Kelvin
- // \leadsto h(T) = \int_0^T c_p(T) dT
- // \approx 0.5 T * (cp( (0.5-0.5*\sqrt(1/3)) T) + cp((0.5+0.5*\sqrt(1/3)) T))
- // = 0.5 T * (cp(0.2113 T) + cp(0.7887 T) )
-
- // enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input
- return 0.5*temperature*(spHeatCapLiquidPhase_(0.2113*temperature) + spHeatCapLiquidPhase_(0.7887*temperature));
+ // Gauss quadrature rule:
+ // Interval: [0K; temperature (K)]
+ // Gauss-Legendre-Integration with variable transformation:
+ // \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
+ // with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
+ // here: a=273.15K, b=actual temperature in Kelvin
+ // \leadsto h(T) = \int_273.15^T c_p(T) dT
+ // \approx 0.5 (T-273.15) * (cp( 0.5(temperature-273.15)sqrt(1/3) ) + cp(0.5(temperature-273.15)(-1)sqrt(1/3))
+
+ // Enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input and is
+ // fit over a certain temperature range. This suggests choosing an interval of integration being in the actual fit range.
+ // I.e. choosing T=273.15K as reference point for liquid enthalpy.
+
+ constexpr Scalar sqrt1over3 = std::sqrt(1./3.);
+ const Scalar TEval1 = 0.5*(temperature-273.15)* sqrt1over3 + 0.5*(273.15+temperature) ; // evaluation points according to Gauss-Legendre integration
+ const Scalar TEval2 = 0.5*(temperature-273.15)* (-1)* sqrt1over3 + 0.5*(273.15+temperature) ; // evaluation points according to Gauss-Legendre integration
+
+ const Scalar h_n = 0.5 * (temperature-273.15) * ( liquidHeatCapacity(TEval1, pressure) + liquidHeatCapacity(TEval2, pressure) ) ;
+
+ return h_n;
}
/*!
diff --git a/dumux/material/components/xylene.hh b/dumux/material/components/xylene.hh
index cd4e7faced4511bf0a205d1508908d82f0bce272..eb97e4e18e9b03d5770cae0b70619acabc450f44 100644
--- a/dumux/material/components/xylene.hh
+++ b/dumux/material/components/xylene.hh
@@ -151,22 +151,29 @@ public:
* \param temp temperature of component in \f$\mathrm{[K]}\f$
* \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
*/
- static Scalar liquidEnthalpy(Scalar temp,
- Scalar pressure)
+ static Scalar liquidEnthalpy(const Scalar temperature,
+ const Scalar pressure)
{
- // Gauss quadrature rule:
- // Interval: [0K; temperature (K)]
- // Gauss-Legendre-Integration with variable transformation:
- // \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
- // with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
- // here: a=0, b=actual temperature in Kelvin
- // \leadsto h(T) = \int_0^T c_p(T) dT
- // \approx 0.5 T * (cp( (0.5-0.5*\sqrt(1/3)) T) + cp((0.5+0.5*\sqrt(1/3)) T))
- // = 0.5 T * (cp(0.2113 T) + cp(0.7887 T) )
-
- // enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input
- return 0.5*temp*(spHeatCapLiquidPhase(0.2113*temp,pressure)
- + spHeatCapLiquidPhase(0.7887*temp,pressure));
+ // Gauss quadrature rule:
+ // Interval: [0K; temperature (K)]
+ // Gauss-Legendre-Integration with variable transformation:
+ // \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
+ // with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
+ // here: a=273.15K, b=actual temperature in Kelvin
+ // \leadsto h(T) = \int_273.15^T c_p(T) dT
+ // \approx 0.5 (T-273.15) * (cp( 0.5(temperature-273.15)sqrt(1/3) ) + cp(0.5(temperature-273.15)(-1)sqrt(1/3))
+
+ // Enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input and is
+ // fit over a certain temperature range. This suggests choosing an interval of integration being in the actual fit range.
+ // I.e. choosing T=273.15K as reference point for liquid enthalpy.
+
+ constexpr Scalar sqrt1over3 = std::sqrt(1./3.);
+ const Scalar TEval1 = 0.5*(temperature-273.15)* sqrt1over3 + 0.5*(273.15+temperature) ; // evaluation points according to Gauss-Legendre integration
+ const Scalar TEval2 = 0.5*(temperature-273.15)* (-1)* sqrt1over3 + 0.5*(273.15+temperature) ; // evaluation points according to Gauss-Legendre integration
+
+ const Scalar h_n = 0.5 * (temperature-273.15) * ( liquidHeatCapacity(TEval1, pressure) + liquidHeatCapacity(TEval2, pressure) ) ;
+
+ return h_n;
}
/*!
diff --git a/dumux/material/fluidsystems/h2oairfluidsystem.hh b/dumux/material/fluidsystems/h2oairfluidsystem.hh
index 3c16c7481e1567b513ed0aae13448a1c57bc3913..9f890c7c853d8d1e6be33f0064b57f9e2c6ff4cd 100644
--- a/dumux/material/fluidsystems/h2oairfluidsystem.hh
+++ b/dumux/material/fluidsystems/h2oairfluidsystem.hh
@@ -305,7 +305,7 @@ public:
init(/*tempMin=*/273.15,
/*tempMax=*/623.15,
/*numTemp=*/100,
- /*pMin=*/-10,
+ /*pMin=*/-10.,
/*pMax=*/20e6,
/*numP=*/200);
}
@@ -683,7 +683,7 @@ public:
}
};
-} // end namepace FluidSystems
+} // end namespace FluidSystems
#ifdef DUMUX_PROPERTIES_HH
// forward defintions of the property tags