/*
* ------------ Partial Molar Properties of the Solution ------------
*/
void GibbsExcessVPSSTP::getPartialMolarVolumes(doublereal* vbar) const
{
/*
* Get the standard state values in m^3 kmol-1
*/
getStandardVolumes(vbar);
}
void MixedSolventElectrolyte::getPartialMolarVolumes(doublereal* vbar) const
{
int delAK, delBK;
double XA, XB, g0 , g1;
double T = temperature();
/*
* Get the standard state values in m^3 kmol-1
*/
getStandardVolumes(vbar);
for (size_t iK = 0; iK < m_kk; iK++) {
delAK = 0;
delBK = 0;
for (size_t i = 0; i < numBinaryInteractions_; i++) {
size_t iA = m_pSpecies_A_ij[i];
size_t iB = m_pSpecies_B_ij[i];
if (iA==iK) {
delAK = 1;
} else if (iB==iK) {
delBK = 1;
}
XA = moleFractions_[iA];
XB = moleFractions_[iB];
g0 = (m_VHE_b_ij[i] - T * m_VSE_b_ij[i]);
g1 = (m_VHE_c_ij[i] - T * m_VSE_c_ij[i]);
vbar[iK] += XA*XB*(g0+g1*XB)+((delAK-XA)*XB+XA*(delBK-XB))*(g0+g1*XB)+XA*XB*(delBK-XB)*g1;
}
}
}
void MolarityIonicVPSSTP::getPartialMolarVolumes(doublereal* vbar) const
{
// Get the standard state values in m^3 kmol-1
getStandardVolumes(vbar);
for (size_t iK = 0; iK < m_kk; iK++) {
vbar[iK] += 0.0;
}
}
void RedlichKisterVPSSTP::getPartialMolarVolumes(doublereal* vbar) const
{
/*
* Get the standard state values in m^3 kmol-1
*/
getStandardVolumes(vbar);
for (size_t iK = 0; iK < m_kk; iK++) {
vbar[iK] += 0.0;
}
}
void MaskellSolidSolnPhase::calcDensity()
{
const vector_fp& vbar = getStandardVolumes();
vector_fp moleFracs(m_kk);
Phase::getMoleFractions(&moleFracs[0]);
doublereal vtotal = 0.0;
for (size_t i = 0; i < m_kk; i++) {
vtotal += vbar[i] * moleFracs[i];
}
Phase::setDensity(meanMolecularWeight() / vtotal);
}
void MargulesVPSSTP::getPartialMolarVolumes(doublereal* vbar) const
{
double T = temperature();
// Get the standard state values in m^3 kmol-1
getStandardVolumes(vbar);
for (size_t i = 0; i < numBinaryInteractions_; i++) {
size_t iA = m_pSpecies_A_ij[i];
size_t iB = m_pSpecies_B_ij[i];
double XA = moleFractions_[iA];
double XB = moleFractions_[iB];
double g0 = (m_VHE_b_ij[i] - T * m_VSE_b_ij[i]);
double g1 = (m_VHE_c_ij[i] - T * m_VSE_c_ij[i]);
const doublereal temp1 = g0 + g1 * XB;
const doublereal all = -1.0*XA*XB*temp1 - XA*XB*XB*g1;
for (size_t iK = 0; iK < m_kk; iK++) {
vbar[iK] += all;
}
vbar[iA] += XB * temp1;
vbar[iB] += XA * temp1 + XA*XB*g1;
}
}
void MaskellSolidSolnPhase::getPartialMolarVolumes(doublereal* vbar) const
{
getStandardVolumes(vbar);
}
void LatticePhase::getPartialMolarVolumes(doublereal* vbar) const
{
getStandardVolumes(vbar);
}
void IdealMolalSoln::getPartialMolarVolumes(doublereal* vbar) const
{
getStandardVolumes(vbar);
}
const vector_fp& GibbsExcessVPSSTP::getPartialMolarVolumesVector() const
{
return getStandardVolumes();
}
void VPSSMgr::getStandardVolumes_ref(doublereal* vol) const
{
getStandardVolumes(vol);
//err("getStandardVolumes_ref");
}