From 6bc5e03765500295d5ead964cbb04c1d38bcbd57 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Dennis=20Gl=C3=A4ser?= <dennis.glaeser@iws.uni-stuttgart.de>
Date: Thu, 26 Jul 2018 14:46:01 +0200
Subject: [PATCH] [bincoeff][brineco2] respect dumux style conventions
---
.../material/binarycoefficients/brine_co2.hh | 81 +++++++++----------
1 file changed, 40 insertions(+), 41 deletions(-)
diff --git a/dumux/material/binarycoefficients/brine_co2.hh b/dumux/material/binarycoefficients/brine_co2.hh
index 04d5c29d73..32deb98915 100644
--- a/dumux/material/binarycoefficients/brine_co2.hh
+++ b/dumux/material/binarycoefficients/brine_co2.hh
@@ -51,7 +51,8 @@ public:
* \param temperature the temperature \f$\mathrm{[K]}\f$
* \param pressure the phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure) {
+ static Scalar gasDiffCoeff(Scalar temperature, Scalar pressure)
+ {
//Diffusion coefficient of water in the CO2 phase
Scalar const PI=3.141593;
Scalar const k = 1.3806504e-23; // Boltzmann constant
@@ -61,7 +62,6 @@ public:
Scalar D = k / (c * PI * R_h) * (temperature / mu);
return D;
}
- ;
/*!
* \brief Binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ of CO2 in the brine phase.
@@ -69,11 +69,11 @@ public:
* \param temperature the temperature \f$\mathrm{[K]}\f$
* \param pressure the phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure) {
+ static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
+ {
//Diffusion coefficient of CO2 in the brine phase
return 2e-9;
}
- ;
/*!
* \brief Returns the _mol_ (!) fraction of CO2 in the liquid
@@ -106,7 +106,8 @@ public:
// if both phases are present the mole fractions in each phase can be calculate
// with the mutual solubility function
- if (knownPhaseIdx < 0) {
+ if (knownPhaseIdx < 0)
+ {
Scalar molalityNaCl = molFracToMolality_(x_NaCl); // molality of NaCl //CHANGED
Scalar m0_CO2 = molalityCO2inPureWater_(temperature, pg); // molality of CO2 in pure water
Scalar gammaStar = activityCoefficient_(temperature, pg, molalityNaCl);// activity coefficient of CO2 in brine
@@ -118,19 +119,14 @@ public:
// if only liquid phase is present the mole fraction of CO2 in brine is given and
// and the virtual equilibrium mole fraction of water in the non-existing gas phase can be estimated
// with the mutual solubility function
- if (knownPhaseIdx == lPhaseIdx) {
+ if (knownPhaseIdx == lPhaseIdx)
ygH2O = A * (1 - xlCO2 - x_NaCl);
- }
-
// if only gas phase is present the mole fraction of water in the gas phase is given and
// and the virtual equilibrium mole fraction of CO2 in the non-existing liquid phase can be estimated
// with the mutual solubility function
- if (knownPhaseIdx == gPhaseIdx) {
- //y_H2o = fluidstate.
+ if (knownPhaseIdx == gPhaseIdx)
xlCO2 = 1 - x_NaCl - ygH2O / A;
- }
-
}
/*!
@@ -140,8 +136,8 @@ public:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar fugacityCoefficientCO2(Scalar T, Scalar pg) {
-
+ static Scalar fugacityCoefficientCO2(Scalar T, Scalar pg)
+ {
Scalar V = 1 / (CO2::gasDensity(T, pg) / CO2::molarMass()) * 1.e6; // molar volume in cm^3/mol
Scalar pg_bar = pg / 1.e5; // gas phase pressure in bar
Scalar a_CO2 = (7.54e7 - 4.13e4 * T); // mixture parameter of Redlich-Kwong equation
@@ -159,7 +155,6 @@ public:
phiCO2 = exp(lnPhiCO2); // fugacity coefficient of CO2
return phiCO2;
-
}
/*!
@@ -169,8 +164,8 @@ public:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar fugacityCoefficientH2O(Scalar T, Scalar pg) {
-
+ static Scalar fugacityCoefficientH2O(Scalar T, Scalar pg)
+ {
Scalar V = 1 / (CO2::gasDensity(T, pg) / CO2::molarMass()) * 1.e6; // molar volume in cm^3/mol
Scalar pg_bar = pg / 1.e5; // gas phase pressure in bar
Scalar a_CO2 = (7.54e7 - 4.13e4 * T);// mixture parameter of Redlich-Kwong equation
@@ -180,9 +175,9 @@ public:
static const Scalar R = IdealGas::R * 10.; // ideal gas constant with unit bar cm^3 /(K mol)
Scalar lnPhiH2O, phiH2O;
- using std::log;
- using std::pow;
- using std::exp;
+ using std::log;
+ using std::pow;
+ using std::exp;
lnPhiH2O = log(V / (V - b_CO2)) + b_H2O / (V - b_CO2) - 2 * a_CO2_H2O
/ (R * pow(T, 1.5) * b_CO2) * log((V + b_CO2) / V) + a_CO2
* b_H2O / (R * pow(T, 1.5) * b_CO2 * b_CO2) * (log((V + b_CO2)
@@ -195,30 +190,29 @@ public:
private:
/*!
* \brief Returns the molality of NaCl \f$\mathrm{[mol \ NaCl / kg \ water]}\f$ for a given mole fraction
- *
* \param salinity the salinity \f$\mathrm{[kg \ NaCl / kg \ solution]}\f$
*/
- static Scalar salinityToMoleFrac_(Scalar salinity) {
-
- const Scalar Mw = H2O::molarMass(); /* molecular weight of water [kg/mol] */
- const Scalar Ms = 58.8e-3; /* molecular weight of NaCl [kg/mol] */
+ static Scalar salinityToMoleFrac_(Scalar salinity)
+ {
+ const Scalar Mw = H2O::molarMass(); // molecular weight of water [kg/mol]
+ const Scalar Ms = 58.8e-3; // molecular weight of NaCl [kg/mol]
const Scalar X_NaCl = salinity;
- /* salinity: conversion from mass fraction to mol fraction */
+ // salinity: conversion from mass fraction to mol fraction
const Scalar x_NaCl = -Mw * X_NaCl / ((Ms - Mw) * X_NaCl - Ms);
return x_NaCl;
}
/*!
- * \brief Returns the molality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$ for a given mole fraction \f$\mathrm{(mol \ NaCl / mol\ solution)}\f$
+ * \brief Returns the molality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$
+ * for a given mole fraction \f$\mathrm{(mol \ NaCl / mol\ solution)}\f$
*
* \param x_NaCl mole fraction of NaCL in brine \f$\mathrm{[mol/mol]}\f$
*/
- static Scalar molFracToMolality_(Scalar x_NaCl) {
-
+ static Scalar molFracToMolality_(Scalar x_NaCl)
+ {
// conversion from mol fraction to molality (dissolved CO2 neglected)
const Scalar mol_NaCl = 55.508 * x_NaCl / (1 - x_NaCl);
-
return mol_NaCl;
}
@@ -229,7 +223,8 @@ private:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar molalityCO2inPureWater_(Scalar temperature, Scalar pg) {
+ static Scalar molalityCO2inPureWater_(Scalar temperature, Scalar pg)
+ {
Scalar A = computeA_(temperature, pg); // according to Spycher, Pruess and Ennis-King (2003)
Scalar B = computeB_(temperature, pg); // according to Spycher, Pruess and Ennis-King (2003)
Scalar yH2OinGas = (1 - B) / (1. / A - B); // equilibrium mol fraction of H2O in the gas phase
@@ -247,8 +242,8 @@ private:
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
* \param molalityNaCl molality of NaCl \f$\mathrm{(mol \ NaCl / kg \ water)}\f$
*/
- static Scalar activityCoefficient_(Scalar temperature, Scalar pg,
- Scalar molalityNaCl) {
+ static Scalar activityCoefficient_(Scalar temperature, Scalar pg, Scalar molalityNaCl)
+ {
Scalar lambda = computeLambda_(temperature, pg); // lambda_{CO2-Na+}
Scalar xi = computeXi_(temperature, pg); // Xi_{CO2-Na+-Cl-}
Scalar lnGammaStar = 2 * lambda * molalityNaCl + xi * molalityNaCl
@@ -266,7 +261,8 @@ private:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar computeA_(Scalar T, Scalar pg) {
+ static Scalar computeA_(Scalar T, Scalar pg)
+ {
Scalar deltaP = pg / 1e5 - 1; // pressure range [bar] from p0 = 1bar to pg[bar]
const Scalar v_av_H2O = 18.1; // average partial molar volume of H2O [cm^3/mol]
const Scalar R = IdealGas::R * 10;
@@ -276,7 +272,6 @@ private:
using std::exp;
Scalar A = k0_H2O / (phi_H2O * pg_bar) * exp(deltaP * v_av_H2O / (R * T));
return A;
-
}
/*!
@@ -287,7 +282,8 @@ private:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar computeB_(Scalar T, Scalar pg) {
+ static Scalar computeB_(Scalar T, Scalar pg)
+ {
Scalar deltaP = pg / 1e5 - 1; // pressure range [bar] from p0 = 1bar to pg[bar]
const Scalar v_av_CO2 = 32.6; // average partial molar volume of CO2 [cm^3/mol]
const Scalar R = IdealGas::R * 10;
@@ -307,7 +303,8 @@ private:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar computeLambda_(Scalar T, Scalar pg) {
+ static Scalar computeLambda_(Scalar T, Scalar pg)
+ {
Scalar lambda;
static const Scalar c[6] = { -0.411370585, 6.07632013E-4, 97.5347708,
-0.0237622469, 0.0170656236, 1.41335834E-5 };
@@ -327,7 +324,8 @@ private:
* \param T the temperature \f$\mathrm{[K]}\f$
* \param pg the gas phase pressure \f$\mathrm{[Pa]}\f$
*/
- static Scalar computeXi_(Scalar T, Scalar pg) {
+ static Scalar computeXi_(Scalar T, Scalar pg)
+ {
Scalar xi;
static const Scalar c[4] = { 3.36389723E-4, -1.98298980E-5,
2.12220830E-3, -5.24873303E-3 };
@@ -344,7 +342,8 @@ private:
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
* \param T the temperature \f$\mathrm{[K]}\f$
*/
- static Scalar equilibriumConstantCO2_(Scalar T) {
+ static Scalar equilibriumConstantCO2_(Scalar T)
+ {
Scalar TinC = T - 273.15; //temperature in °C
static const Scalar c[3] = { 1.189, 1.304e-2, -5.446e-5 };
Scalar logk0_CO2 = c[0] + c[1] * TinC + c[2] * TinC * TinC;
@@ -359,7 +358,8 @@ private:
* Given in Spycher, Pruess and Ennis-King (2003) \cite spycher2003 <BR>
* \param T the temperature \f$\mathrm{[K]}\f$
*/
- static Scalar equilibriumConstantH2O_(Scalar T) {
+ static Scalar equilibriumConstantH2O_(Scalar T)
+ {
Scalar TinC = T - 273.15; //temperature in °C
static const Scalar c[4] = { -2.209, 3.097e-2, -1.098e-4, 2.048e-7 };
Scalar logk0_H2O = c[0] + c[1] * TinC + c[2] * TinC * TinC + c[3]
@@ -368,7 +368,6 @@ private:
Scalar k0_H2O = pow(10, logk0_H2O);
return k0_H2O;
}
-
};
/*!
--
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