Results of the Sixth Industrial Fluid Properties Simulation Challenge

The results of the Sixth Industrial Fluid Properties Simulation Challenge were announced at a special session sponsored by CoMSEF at the AIChE Annual Meeting in Salt Lake City in November 2010. Entrants were challenged to predict the mutual solubility in liquid-liquid equilibria of water and a glycol ether (PROGLYDE DMM TM) as a function of temperature. Unlike most organic solvents, glycol ethers and glycol diethers exhibit an “inverse solubility” relationship with water. They are used in a wide range of product formulations and industrial processes. For example, they are used as solvents and co-solvents in both organic- and water-based formulations for applications such as cleaning solutions, paints, coatings, and inks. A variety of other novel applications have been proposed that take advantage of the inverse solubility behavior.

Seven entries were received, and they were judged based on comparison to experimental data provided by The Dow Chemical Company.

J. Reinisch, A. Klamt, F. Eckert and M.Diedenhofen (COSMOlogic) were named Champions.

P. Bai and J.I. Siepmann (U. Minnesota) were named Runners-Up.

S.-T. Lin, L.-H. Wang, W.-L. Chen, P.-K. Lai, and C.-M. Hsieh (National Taiwan University) were named Honorable Mention.

The other four entries were honored for participating: T. Koddermann, K. N. Kirschner, J. Vrabec, M. Hulsmann, D. Reith (SCAI; U. Paderborn); A. Vahid , F. S. Emami , E. Moharreri, J. R. Elliott (U. Akron); T. Cheng, F. Li, J. Dai, and H. Sun (Shanghai Jiao Tong University); and L. Zhao, C. Wub, and N. Huang (National Institute of Biological Sciences, Beijing, China; Washington University).

Thanks to all who participated in planning and judging the challenge and to the entrants! It is anticipated that a 7th challenge will be planned for 2011.

More information about the Sixth Challenge and previous challenges is available here: link

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