Commented out the entry with index 57 (C-*RCR2) in adsorptionPt111.py

[kblondal]

Vinyl only converged as bidentate on Pt111, so the current input is not consistent with the underlying geometry.
I commented it out for that reason, and since we already have bidentate vinyl in this library (index 48).

This change will have the result that adsorption corrections based on *CH3 data (C-*R3) will be used instead when C-*RCR2 adsorbates are proposed by RMG, which I think is preferred over using the data based on bidentate vinyl for that going forward (for now).

[bjkreitz]

I agree. It makes sense to comment it out. Does it also make sense to comment out index 89 for (CR2CR)* since the adsorption correction is made up? I'm going to make a separate PR with new adsorption corrections for species containing more than 3 heavy atoms, which will probably provide better corrections for index 57 and 89 as well.

[ChrisBNEU]

Per our prior RMG-Cat discussion I think this is fine. In terms of Bjarne's suggestion, I think PR #528 added the "made up" rate because nitrogen thermo was being incorporated into the average for the top node. I think it might make sense to leave it or replace it with a better justified rate, instead of reverting back.

[kblondal]

Thanks Chris and Bjarne, sounds great about the new adsorption corrections PR. Until then, as Chris commented, it is probably okay to leave index 89.

[rwest]

As discussed in joint group meeting just now, this has been approved. I rebased and merged.