Results of the Ninth Challenge

Seven entries were received from: a) Andersson, Eckert, Reinisch, Klamt, and Stipp (U. Copenhagen, COSMOlogic, U. Regensburg); b) Papavasileiou,Moultos, and Economou (National Center for Scientific Research, Greece; Texas A&M at Qatar); c) Herdes, Ervik, Mejíac, and Müller (U. Bath, NTNU, U. Concepcion, Imperial College); d) Mu and Chapman (Rice); and e) Wang, Haghmoradi, and Chapman (Rice); f) Chen, Xue, Harwood, Chen, and Siepmann (Minnesota); and g) Shen and Sun (Shanghai Jiao Tong U., Jilin U.).  Most of these teams were able to present their work at the IFPSC session (sponsored by CoMSEF) at the 2016 AIChE Annual Meeting in San Francsico.

The simulation results and the experimental data are summarized in the following figures:

Based on their predictions using the coarse grained SAFT-γ Mie force field and the scoring criteria for the challenge (Herdes, Ervik, Mejíac, and Müller were declared the Champions of the 9th Challenge. Chen, Xue, Harwood, Chen, and Siepmann earned the award for second place for their predictions using Monte Carlo Methods.

Planning for the 10th Challenge is currently underway. The tentative plan is to announce a challenge this summer to conclude in October to test predictions of the effect of a small-molecule additive at low concentration on water/oil IFT at high T and P.