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Implement simplified compressibility properties
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corykinney committed Apr 27, 2023
1 parent b02fa1a commit d9e783a
Showing 1 changed file with 6 additions and 27 deletions.
33 changes: 6 additions & 27 deletions src/thermo/SoaveRedlichKwong.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -481,37 +481,16 @@ double SoaveRedlichKwong::dpdVCalc(double T, double molarVol, double& presCalc)
return -GasConstant * T / (vmb * vmb) + m_aAlpha_mix * (2 * molarVol + m_b) / (denom * denom);
}

double SoaveRedlichKwong::isothermalCompressibility() const
double SoaveRedlichKwong::isothermalCompressibility() const
{
double P = pressure();
double RT_ = RT();
double Z = z();

double A = m_aAlpha_mix * P / (RT_ * RT_);
double B = m_b * P / RT_;

double dAdP = A / P;
double dBdP = B / P;
double dZdP = ((B - Z) * dAdP + (A + Z + 2 * B * Z) * dBdP) / (3 * Z * Z - 2 * Z + A - B - B * B);

return 1 / P - dZdP / Z;
calculatePressureDerivatives();
return -1 / (molarVolume() * m_dpdV);
}

double SoaveRedlichKwong::thermalExpansionCoeff() const
double SoaveRedlichKwong::thermalExpansionCoeff() const
{
double P = pressure();
double T = temperature();
double RT_ = RT();
double Z = z();

double A = m_aAlpha_mix * P / (RT_ * RT_);
double B = m_b * P / RT_;

double dAdT = P / (RT_ * RT_) * (daAlpha_dT() - 2 * m_aAlpha_mix / T);
double dBdT = -B / T;
double dZdT = ((B - Z) * dAdT + (A + Z + 2 * B * Z) * dBdT) / (3 * Z * Z - 2 * Z + A - B - B * B);

return 1 / T + dZdT / Z;
calculatePressureDerivatives();
return -m_dpdT / (molarVolume() * m_dpdV);
}

void SoaveRedlichKwong::calculatePressureDerivatives() const
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