diff --git a/dumux/material/components/brine.hh b/dumux/material/components/brine.hh
index 74d3dce37ee1710cb0238e7973f197d52be974fd..a6d4bcc60d61c5629a07374bc7e7269d3c748465 100644
--- a/dumux/material/components/brine.hh
+++ b/dumux/material/components/brine.hh
@@ -171,30 +171,11 @@ public:
/* heat of dissolution for halite according to Michaelides 1971 */
const Scalar delta_h = (4.184/(1E3 + (58.44 * m)))*d_h;
- /* Enthalpy of brine without air */
+ /* Enthalpy of brine without any dissolved gas */
const Scalar h_ls1 =(1-salinity)*hw + salinity*h_NaCl + salinity*delta_h; /* kJ/kg */
return h_ls1*1E3; /*J/kg*/
}
- /*!
- * \brief Specific isobaric heat capacity of liquid water \f$\mathrm{[J/kg]}\f$.
- *
- * \param temperature temperature of component in \f$\mathrm{[K]}\f$
- * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
- *
- * See:
- *
- * IAPWS: "Revised Release on the IAPWS Industrial Formulation
- * 1997 for the Thermodynamic Properties of Water and Steam",
- * http://www.iapws.org/relguide/IF97-Rev.pdf \cite IAPWS1997
- */
- DUNE_DEPRECATED_MSG("liquidHeatCapacity(Scalar temperature, Scalar pressure) is deprecated. Use liquidHeatCapacity(Scalar temperature, Scalar pressure, Scalar salinity) instead.")
- static const Scalar liquidHeatCapacity(Scalar temperature,
- Scalar pressure)
- {
- return liquidHeatCapacity(temperature, pressure, constantSalinity);
- }
-
/*!
* \brief Specific isobaric heat capacity of liquid water \f$\mathrm{[J/kg]}\f$.
*
@@ -313,7 +294,7 @@ public:
300*pMPa -
2400*pMPa*salinity +
TempC*(
- 80.0 -
+ 80.0 +
3*TempC -
3300*salinity -
13*pMPa +
diff --git a/dumux/material/fluidsystems/brineco2.hh b/dumux/material/fluidsystems/brineco2.hh
index 01104058b5e5930d6233437478a6718fa454a5c4..8b448f56cf5b37c798e7cb860298d561d2183a01 100644
--- a/dumux/material/fluidsystems/brineco2.hh
+++ b/dumux/material/fluidsystems/brineco2.hh
@@ -82,8 +82,8 @@ public:
static const int numComponents = 2;
static const int numPhases = 2;
- static const int lPhaseIdx = 0; // index of the liquid phase
- static const int gPhaseIdx = 1; // index of the gas phase
+ static const int wPhaseIdx = 0; // index of the liquid phase
+ static const int nPhaseIdx = 1; // index of the gas phase
static const int wCompIdx = 0;
static const int nCompIdx = 1;
static const int lCompIdx = wCompIdx;
@@ -117,7 +117,7 @@ public:
{
assert(0 <= phaseIdx && phaseIdx < numPhases);
- return phaseIdx != gPhaseIdx;
+ return phaseIdx != nPhaseIdx;
}
/*!
@@ -210,7 +210,7 @@ public:
startPressure, endPressure, pressureSteps);
}
// set the salinity of brine
- BrineRawComponent::salinity = salinity;
+ BrineRawComponent::constantSalinity = salinity;
if(Brine::isTabulated)
{
@@ -238,12 +238,12 @@ public:
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
- if (phaseIdx == lPhaseIdx) {
+ if (phaseIdx == wPhaseIdx) {
// use normalized composition for to calculate the density
// (the relations don't seem to take non-normalized
// compositions too well...)
- Scalar xlBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(lPhaseIdx, BrineIdx)));
- Scalar xlCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(lPhaseIdx, CO2Idx)));
+ Scalar xlBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(wPhaseIdx, BrineIdx)));
+ Scalar xlCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(wPhaseIdx, CO2Idx)));
Scalar sumx = xlBrine + xlCO2;
xlBrine /= sumx;
xlCO2 /= sumx;
@@ -257,13 +257,13 @@ public:
return result;
}
else {
- assert(phaseIdx == gPhaseIdx);
+ assert(phaseIdx == nPhaseIdx);
// use normalized composition for to calculate the density
// (the relations don't seem to take non-normalized
// compositions too well...)
- Scalar xgBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(gPhaseIdx, BrineIdx)));
- Scalar xgCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(gPhaseIdx, CO2Idx)));
+ Scalar xgBrine = std::min(1.0, std::max(0.0, fluidState.moleFraction(nPhaseIdx, BrineIdx)));
+ Scalar xgCO2 = std::min(1.0, std::max(0.0, fluidState.moleFraction(nPhaseIdx, CO2Idx)));
Scalar sumx = xgBrine + xgCO2;
xgBrine /= sumx;
xgCO2 /= sumx;
@@ -294,7 +294,7 @@ public:
Scalar pressure = fluidState.pressure(phaseIdx);
Scalar result = 0;
- if (phaseIdx == lPhaseIdx) {
+ if (phaseIdx == wPhaseIdx) {
// assume pure brine for the liquid phase. TODO: viscosity
// of mixture
result = Brine::liquidViscosity(temperature, pressure);
@@ -341,7 +341,7 @@ public:
assert(0 <= phaseIdx && phaseIdx < numPhases);
assert(0 <= compIdx && compIdx < numComponents);
- if (phaseIdx == gPhaseIdx)
+ if (phaseIdx == nPhaseIdx)
// use the fugacity coefficients of an ideal gas. the
// actual value of the fugacity is not relevant, as long
// as the relative fluid compositions are observed,
@@ -408,12 +408,12 @@ public:
// temperature and pressure.
Brine_CO2::calculateMoleFractions(temperature,
pressure,
- BrineRawComponent::salinity,
+ BrineRawComponent::constantSalinity,
/*knownPhaseIdx=*/-1,
xlCO2,
xgH2O);
- if(phaseIdx == gPhaseIdx)
+ if(phaseIdx == nPhaseIdx)
{
return xgH2O;
}
@@ -482,7 +482,7 @@ public:
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
- if (phaseIdx == lPhaseIdx) {
+ if (phaseIdx == wPhaseIdx) {
assert(compIIdx == BrineIdx);
assert(compJIdx == CO2Idx);
@@ -491,7 +491,7 @@ public:
return result;
}
else {
- assert(phaseIdx == gPhaseIdx);
+ assert(phaseIdx == nPhaseIdx);
assert(compIIdx == BrineIdx);
assert(compJIdx == CO2Idx);
@@ -517,12 +517,12 @@ public:
Scalar temperature = fluidState.temperature(phaseIdx);
Scalar pressure = fluidState.pressure(phaseIdx);
- if (phaseIdx == lPhaseIdx) {
+ if (phaseIdx == wPhaseIdx) {
Scalar XlCO2 = fluidState.massFraction(phaseIdx, CO2Idx);
Scalar result = liquidEnthalpyBrineCO2_(temperature,
pressure,
- BrineRawComponent::salinity,
+ BrineRawComponent::constantSalinity,
XlCO2);
Valgrind::CheckDefined(result);
return result;
@@ -531,10 +531,10 @@ public:
Scalar result = 0;
result +=
Brine::gasEnthalpy(temperature, pressure) *
- fluidState.massFraction(gPhaseIdx, BrineIdx);
+ fluidState.massFraction(nPhaseIdx, BrineIdx);
result +=
CO2::gasEnthalpy(temperature, pressure) *
- fluidState.massFraction(gPhaseIdx, CO2Idx);
+ fluidState.massFraction(nPhaseIdx, CO2Idx);
Valgrind::CheckDefined(result);
return result;
}
@@ -551,7 +551,7 @@ public:
static Scalar thermalConductivity(const FluidState &fluidState,
int phaseIdx)
{
- if (phaseIdx == lPhaseIdx)
+ if (phaseIdx == wPhaseIdx)
{
return H2O::liquidThermalConductivity(fluidState.temperature(phaseIdx),
fluidState.pressure(phaseIdx));
@@ -576,7 +576,7 @@ public:
static Scalar heatCapacity(const FluidState &fluidState,
int phaseIdx)
{
- if(phaseIdx == lPhaseIdx)
+ if(phaseIdx == wPhaseIdx)
return H2O::liquidHeatCapacity(fluidState.temperature(phaseIdx),
fluidState.pressure(phaseIdx));
else
@@ -662,69 +662,22 @@ private:
{
/* X_CO2_w : mass fraction of CO2 in brine */
- /* same function as enthalpy_brine, only extended by CO2 content */
-
- /*Numerical coefficents from PALLISER*/
- static const Scalar f[] = {
- 2.63500E-1, 7.48368E-6, 1.44611E-6, -3.80860E-10
- };
-
- /*Numerical coefficents from MICHAELIDES for the enthalpy of brine*/
- static const Scalar a[4][3] = {
- { 9633.6, -4080.0, +286.49 },
- { +166.58, +68.577, -4.6856 },
- { -0.90963, -0.36524, +0.249667E-1 },
- { +0.17965E-2, +0.71924E-3, -0.4900E-4 }
- };
-
- Scalar theta, h_NaCl;
- Scalar m, h_ls, h_ls1, d_h;
- Scalar S_lSAT, delta_h;
- int i, j;
- Scalar delta_hCO2, hg, hw;
-
- theta = T - 273.15;
-
- S_lSAT = f[0] + f[1]*theta + f[2]*theta*theta + f[3]*theta*theta*theta;
- /*Regularization*/
- if (S>S_lSAT) {
- S = S_lSAT;
- }
-
- hw = H2O::liquidEnthalpy(T, p) /1E3; /* kJ/kg */
-
- /*DAUBERT and DANNER*/
- /*U=*/h_NaCl = (3.6710E4*T + 0.5*(6.2770E1)*T*T - ((6.6670E-2)/3)*T*T*T
- +((2.8000E-5)/4)*(T*T*T*T))/(58.44E3)- 2.045698e+02; /* kJ/kg */
-
- m = (1E3/58.44)*(S/(1-S));
- i = 0;
- j = 0;
- d_h = 0;
-
- for (i = 0; i<=3; i++) {
- for (j=0; j<=2; j++) {
- d_h = d_h + a[i][j] * pow(theta, i) * pow(m, j);
- }
- }
- /* heat of dissolution for halite according to Michaelides 1971 */
- delta_h = (4.184/(1E3 + (58.44 * m)))*d_h;
-
- /* Enthalpy of brine without CO2 */
- h_ls1 =(1-S)*hw + S*h_NaCl + S*delta_h; /* kJ/kg */
+ const Scalar h_ls1 = BrineRawComponent::liquidEnthalpy(T, p, S)/1E3; /* J/kg */
/* heat of dissolution for CO2 according to Fig. 6 in Duan and Sun 2003. (kJ/kg)
In the relevant temperature ranges CO2 dissolution is
exothermal */
- delta_hCO2 = (-57.4375 + T * 0.1325) * 1000/44;
+ const Scalar delta_hCO2 = (-57.4375 + T * 0.1325) * 1000/44;
+
+ const Scalar hw = H2O::liquidEnthalpy(T, p) /1E3; /* kJ/kg */
/* enthalpy contribution of CO2 (kJ/kg) */
- hg = CO2::liquidEnthalpy(T, p)/1E3 + delta_hCO2;
+ const Scalar hg = CO2::liquidEnthalpy(T, p)/1E3 + delta_hCO2;
/* Enthalpy of brine with dissolved CO2 */
- h_ls = (h_ls1 - X_CO2_w*hw + hg*X_CO2_w)*1E3; /*J/kg*/
+ const Scalar h_ls = (h_ls1 - X_CO2_w*hw + hg*X_CO2_w)*1E3; /*J/kg*/
- return (h_ls);
+ return h_ls;
}
};
} // end namespace FluidSystems