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more cleaning in the PengRobinson files

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Trine Mykkeltvedt 2022-06-23 14:47:50 +02:00
parent 13cc0a8197
commit a02a614948
2 changed files with 1 additions and 29 deletions
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2
opm/material/eos/PengRobinson.hpp
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@ -186,7 +186,7 @@ public:
Valgrind::CheckDefined(a2); Valgrind::CheckDefined(a2);
Valgrind::CheckDefined(a3); Valgrind::CheckDefined(a3);
Valgrind::CheckDefined(a4); Valgrind::CheckDefined(a4);
// int numSol = invertCubicPolynomial(Z, a1, a2, a3, a4);
int numSol = cubicRoots(Z, a1, a2, a3, a4); int numSol = cubicRoots(Z, a1, a2, a3, a4);
if (numSol == 3) { if (numSol == 3) {
// the EOS has three intersections with the pressure, // the EOS has three intersections with the pressure,

28
opm/material/eos/PengRobinsonMixture.hpp
View File

@ -122,26 +122,8 @@ public:
LhsEval Astar = params.a(phaseIdx)*p/(RT*RT); LhsEval Astar = params.a(phaseIdx)*p/(RT*RT);
LhsEval Bstar = params.b(phaseIdx)*p/(RT); LhsEval Bstar = params.b(phaseIdx)*p/(RT);
//MAYBE REMOVE THIS COMPLETELY ??
// calculate delta_i (see: Reid, p. 145)
LhsEval sumMoleFractions = 0.0;
for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
sumMoleFractions += fs.moleFraction(phaseIdx, compJIdx);
}
LhsEval deltai = 2*sqrt(params.aPure(phaseIdx, compIdx))/params.a(phaseIdx);
LhsEval tmp = 0;
for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
tmp +=
fs.moleFraction(phaseIdx, compJIdx)
/ sumMoleFractions
* sqrt(params.aPure(phaseIdx, compJIdx));
};
deltai *= tmp;
// Calculate A_s LIKE IN JULIA CODE
LhsEval A_s = 0.0; LhsEval A_s = 0.0;
for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) { for (unsigned compJIdx = 0; compJIdx < numComponents; ++compJIdx) {
//param
A_s += params.aCache(phaseIdx, compIdx, compJIdx) * fs.moleFraction(phaseIdx, compJIdx) * p / (RT * RT); A_s += params.aCache(phaseIdx, compIdx, compJIdx) * fs.moleFraction(phaseIdx, compJIdx) * p / (RT * RT);
} }
@ -157,16 +139,6 @@ public:
m1 = 0.5*(u + std::sqrt(u*u - 4*w)); m1 = 0.5*(u + std::sqrt(u*u - 4*w));
m2 = 0.5*(u - std::sqrt(u*u - 4*w)); m2 = 0.5*(u - std::sqrt(u*u - 4*w));
LhsEval base =
(Z + Bstar*m1) /
(Z + Bstar*m2);
LhsEval expo = Astar/(Bstar*std::sqrt(u*u - 4*w))*(bi_b - deltai);
//α = -log(Z - B) + (B_i[i]/B)*(Z - 1)
//β = log((Z + m2*B)/(Z + m1*B))*A/(Δm*B)
//γ = (2/A)*A_s - B_i[i]/B
//ln_phi = α + β*γ
alpha = -log(Z - Bstar) + bi_b * (Z - 1); alpha = -log(Z - Bstar) + bi_b * (Z - 1);
betta = log((Z + m2 * Bstar) / (Z + m1 * Bstar)) * Astar / ((m1 - m2) * Bstar); betta = log((Z + m2 * Bstar) / (Z + m1 * Bstar)) * Astar / ((m1 - m2) * Bstar);
gamma = (2 / Astar ) * A_s - bi_b; gamma = (2 / Astar ) * A_s - bi_b;