Results from 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
"COMSO"-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.

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The vision of the Industrial Fluid Properties Simulation Collective is that a 
robust, accurate, and easy-to-use set of modeling tools will be widely 
available for the prediction of physical properties of fluids and obtaining 
insight into the connections between molecular structure and properties.

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