void LatticePhase::getPartialMolarEntropies(doublereal* sbar) const
{
const vector_fp& _s = entropy_R_ref();
for (size_t k = 0; k < m_kk; k++) {
double xx = std::max(SmallNumber, moleFraction(k));
sbar[k] = GasConstant * (_s[k] - log(xx));
}
}
/*
* Get the array of nondimensional entropy functions for the
* standard state species
* at the current <I>T</I> and <I>P</I> of the solution.
*/
void PecosGasPhase::getEntropy_R(doublereal* sr) const {
const array_fp& _s = entropy_R_ref();
copy(_s.begin(), _s.end(), sr);
double tmp = log (pressure() /m_spthermo->refPressure());
for (int k = 0; k < m_kk; k++) {
sr[k] -= tmp;
}
}
void IdealGasPhase::getPartialMolarEntropies(doublereal* sbar) const
{
const vector_fp& _s = entropy_R_ref();
scale(_s.begin(), _s.end(), sbar, GasConstant);
doublereal logp = log(pressure() / m_spthermo->refPressure());
for (size_t k = 0; k < m_kk; k++) {
doublereal xx = std::max(SmallNumber, moleFraction(k));
sbar[k] += GasConstant * (-logp - log(xx));
}
}
/*
* Get the array of partial molar entropies of the species
* units = J / kmol / K
*/
void PecosGasPhase::getPartialMolarEntropies(doublereal* sbar) const {
const array_fp& _s = entropy_R_ref();
doublereal r = GasConstant;
scale(_s.begin(), _s.end(), sbar, r);
doublereal logp = log(pressure()/m_spthermo->refPressure());
for (int k = 0; k < m_kk; k++) {
doublereal xx = fmaxx(SmallNumber, moleFraction(k));
sbar[k] += r * (- logp - log(xx));
}
}
doublereal IdealGasPhase::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx() - std::log(pressure() / m_spthermo->refPressure()));
}
void IdealGasPhase::getEntropy_R_ref(doublereal* er) const
{
const vector_fp& _s = entropy_R_ref();
copy(_s.begin(), _s.end(), er);
}
/**
* Return the difference in entropy between current p
* and ref p0, in mks units of
* J kmol-1 K-1
*/
doublereal PDSS::entropyDelp_mole() const {
doublereal tmp = entropy_R_ref();
return(entropy_mole() - GasConstant * tmp);
}
/*
* Returns the vector of nondimensional
* entropies of the reference state at the current temperature
* and reference pressure.
*/
void PecosGasPhase::getEntropy_R_ref(doublereal *er) const {
const array_fp& _s = entropy_R_ref();
copy(_s.begin(), _s.end(), er);
}
doublereal LatticePhase::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx());
}
void LatticePhase::getEntropy_R(doublereal* sr) const
{
const vector_fp& _s = entropy_R_ref();
std::copy(_s.begin(), _s.end(), sr);
}
void IdealSolidSolnPhase::getEntropy_R(doublereal* sr) const
{
const vector_fp& _s = entropy_R_ref();
copy(_s.begin(), _s.end(), sr);
}
doublereal IdealSolidSolnPhase::entropy_mole() const
{
return GasConstant * (mean_X(entropy_R_ref()) - sum_xlogx());
}