[discuss ifpsc] 5th Industrial Fluid Properties Simulation Challenge
- From: IFPSC <admin@xxxxxxxxxxxxxxxxxxx>
- To: discuss-ifpsc@xxxxxxxxxxxxx, fluidproperties@xxxxxxxxxxxxx
- Date: Mon, 7 Apr 2008 12:10:31 -0400
The 5th Industrial Fluid Properties Simulation Challenge has been announced.
Objective:
The objective of this Challenge of the IFPSC is to test the ability of
computer modeling (any method) to predict 1-Octanol-Water Partition
(ko/w) and Infinite-Dilution Activity Coefficients (gam-inf).
Prediction of 1-Octanol-Water Partition Coefficients (which,
admittedly, has been widely studied by non-molecular simulation
computational methods) is viewed as a stepping stone to a more
difficult problem, such as a case where a third component is present
at a high enough level to influence the mutual solubilities of the
other two.
Timeline:
April 7, 2008 - Problem announced
September 30, 2008 - Entries due
November 2008 - Champions announced
More info:
http://fluidproperties.org/fifth-simulation-challenge
========================================================
The Industrial Fluid Properties Simulation Collective is an international
collaboration between industry, academia, and national labs aimed facilitating
and promoting the use of molecular modeling and simulation methods for the
prediction of fluid properties.
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