Open pbauman opened 6 years ago
We still need the n_tr_dofs()
for a lot of the thermo modeling (either IdealGasMicroThermo
or StatMechThermo
). But XML transport data in Cantera
format has the geometry
tag (can be atom
, linear
, or nonlinear
) from which we deduce the n_tr_dofs()
. So we'll want to leverage that (prefer it even?). In the ChemKin format, it looks like this is the first column after species name (0, 1, 2, respective to atom, linear, nonlinear).
Really, we ought to be able to deduce cfs
(n_tr_dofs
) as above and then the zns
(charge) from the name (does it have a +
or -
or is it named e
for electron). The thing left apart from molecular weight in #248 is the formation enthalpy at 0K. I wonder if we can leverage the nasa data for that?
The only place the formation enthalpy that we parse is currently used is in StatMechThermodynamics<CoeffType>::e_0
The only time those quantities are used is if we use StatMechThermodynamics... and we almost never use that for combustion. So we really ought to split that out and make them optional (and therefore need to add some error checking code if we try to call those methods and there's no data).