void RedlichKisterVPSSTP::getPartialMolarEntropies(doublereal* sbar) const
{
/*
* Get the nondimensional standard state entropies
*/
getEntropy_R(sbar);
double T = temperature();
/*
* Update the activity coefficients, This also update the
* internally stored molalities.
*/
s_update_lnActCoeff();
s_update_dlnActCoeff_dT();
for (size_t k = 0; k < m_kk; k++) {
double xx = std::max(moleFractions_[k], SmallNumber);
sbar[k] += - lnActCoeff_Scaled_[k] -log(xx) - T * dlnActCoeffdT_Scaled_[k];
}
/*
* dimensionalize it.
*/
for (size_t k = 0; k < m_kk; k++) {
sbar[k] *= GasConstant;
}
}
void IdealMolalSoln::getPartialMolarEntropies(doublereal* sbar) const
{
getEntropy_R(sbar);
calcMolalities();
if (IMS_typeCutoff_ == 0) {
for (size_t k = 1; k < m_kk; k++) {
doublereal mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= GasConstant * log(mm);
}
double xmolSolvent = moleFraction(0);
sbar[0] -= (GasConstant * (xmolSolvent - 1.0) / xmolSolvent);
} else {
// Update the activity coefficients, This also update the internally
// stored molalities.
s_updateIMS_lnMolalityActCoeff();
// First we will add in the obvious dependence on the T term out front
// of the log activity term
doublereal mm;
for (size_t k = 1; k < m_kk; k++) {
mm = std::max(SmallNumber, m_molalities[k]);
sbar[k] -= GasConstant * (log(mm) + IMS_lnActCoeffMolal_[k]);
}
double xmolSolvent = moleFraction(0);
mm = std::max(SmallNumber, xmolSolvent);
sbar[0] -= GasConstant *(log(mm) + IMS_lnActCoeffMolal_[0]);
}
}
void SurfPhase::getPartialMolarEntropies(doublereal* sbar) const
{
getEntropy_R(sbar);
for (size_t k = 0; k < m_kk; k++) {
sbar[k] *= GasConstant;
}
}
void IdealSolnGasVPSS::getPartialMolarEntropies(doublereal* sbar) const {
getEntropy_R(sbar);
doublereal r = GasConstant;
scale(sbar, sbar+m_kk, sbar, r);
for (int k = 0; k < m_kk; k++) {
doublereal xx = fmaxx(SmallNumber, moleFraction(k));
sbar[k] += r * ( - log(xx));
}
}
void SingleSpeciesTP::getPartialMolarEntropies(doublereal* sbar) const
{
getEntropy_R(sbar);
sbar[0] *= GasConstant;
}
void SurfPhase::getEntropy_R_ref(doublereal* sr) const {
getEntropy_R(sr);
}