void GasKinetics::updateKc()
{
thermo().getStandardChemPotentials(&m_grt[0]);
fill(m_rkcn.begin(), m_rkcn.end(), 0.0);
// compute Delta G^0 for all reversible reactions
getRevReactionDelta(&m_grt[0], &m_rkcn[0]);
doublereal rrt = 1.0/(GasConstant * thermo().temperature());
for (size_t i = 0; i < m_revindex.size(); i++) {
size_t irxn = m_revindex[i];
m_rkcn[irxn] = std::min(exp(m_rkcn[irxn]*rrt - m_dn[irxn]*m_logStandConc),
BigNumber);
}
for (size_t i = 0; i != m_irrev.size(); ++i) {
m_rkcn[ m_irrev[i] ] = 0.0;
}
}
void AqueousKinetics::updateKc()
{
thermo().getStandardChemPotentials(m_grt.data());
fill(m_rkcn.begin(), m_rkcn.end(), 0.0);
for (size_t k = 0; k < thermo().nSpecies(); k++) {
doublereal logStandConc_k = thermo().logStandardConc(k);
m_grt[k] -= GasConstant * m_temp * logStandConc_k;
}
// compute Delta G^0 for all reversible reactions
getRevReactionDelta(m_grt.data(), m_rkcn.data());
doublereal rrt = 1.0 / thermo().RT();
for (size_t i = 0; i < m_revindex.size(); i++) {
size_t irxn = m_revindex[i];
m_rkcn[irxn] = exp(m_rkcn[irxn]*rrt);
}
for (size_t i = 0; i != m_irrev.size(); ++i) {
m_rkcn[ m_irrev[i] ] = 0.0;
}
}
