1. Do you consider a DFT/SAFT approach acceptable for competing in the 9th Challenge? (2016/09/16)
- Yes, SAFT is generally considered to be "molecular modeling."
2. I won't be able to attend the IFPSC session at the AIChE Annual Meeting, can I still participate in the Challenge? (2016/09/19)
- Yes. We understand that it isn't always possible to attend in person. If possible, it would be good if you could provide a few slides summarizing you entry that the orgainizers could present for you at the session.
3. What is the meaning of BOTH in the rule about what experimental data may be used to parameterize models. Would it be permissible to use IFT data for water/toluene (same molecules) BUT at different state conditions as the challenge problem? (2016/09/27)
- Yes, using data for the same molecules but different state conditions would be OK. By "different state conditions" we mean low T and P, not high T and P at slightly different conditions from the challenge problems. The same molecules but different state conditions...low T and P...is OK; different molecules but the same state conditions...high T and P...is OK. There should be some transferability required - to different molecules or different state conditions - not just fitting to data for the challenge problems if such existed but the organizers failed to find it.