Results of the Fifth Challenge
The results of the Fifth Industrial Fluid Properties Simulation Challenge were announced at a special session at the AIChE Annual Meeting in Philadelphia in November. This time entrants were challenged to predict octanol-water partition coefficients and infinite-dilution activity coefficients for 1-ethylpropylamine and 3-methyl-1-pentanol. Four entries were received, two using "COSMO"-based methods and two employing molecular dynamics simulations.
Chieh-Ming Hsieh and Shiang-Tai Lin from National Taiwan University were named Champions.
Andreas Klamt, Frank Eckert, and Michael Diedenhofen from COSMOlogic were named Runners-Up.
Yang Liu, Xiaofeng Li, Ling Wang, Huai Sun from Shanghai Jiao Tong University and J. Richard Elliott from the University of Akron were honored for their participation.
The team from Shanghai Jiao Tong University receive a special honorable mention for performing best among the molecular simulation results.
Thanks to all who participated in planning and judging the challenge and to the entrants! It is anticipated that a 6th challenge will be planned for 2009.
