Results of the Seventh Challenge

The results of the Seventh Industrial Fluid Properties Simulation Challenge were announced at a special session at the AIChE Annual Meeting in Pittsburgh on November 1, 2012.  The entrants were challenged to predict the adsorption isotherms of n-perfluorohexane (n-C6F14) in BCR-704 zeolite at a temperature of 293K and at various relative pressures.

Five entries were received, and they were judged based on comparison to experimental data provided by Quantachrome.  The results are summarized in the following plots:

Peng Bai, Pritha Ghosh, Jeffrey Sung, Daniela Kohen, J. Ilja Siepmann, and Randall Q. Snurr (U. Minnesota, Northwestern U., and Carleton College) were named Champions of the 7th Challenge.

Barış Demir and M. Göktuğ Ahunbay (Istanbul Technical U.) were named 1st Runner-Up.

Also participating in the Challenge were:

  • Li Yang, Changjun Peng, Honglai Liu, Ying Hu, and Stanley I. Sandler (East China U. of Sci. Tech., Wuhan Inst. Tech., and U. Delaware)
  • Lin Wang, Long Chen, and Huai Sun (Shanhai Jiao Tong U.)
  • Lifeng Zhao, Kai Li, and Niu Huang (National Inst. Biological Sciences and Beijing Inst. of Pharmaceutical Chemistry)

Manuscripts describing the challenge, benchmark data, and entries will be published in a future special issue of Fluid Phase Equilibria. Check for more info.

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