2006 Industrial Fluid Properties Simulation Challenge

The problems in this, the 3rd Industrial Fluid Properties Simulation Challenge (IFPSC) are focused on transferability. We challenge those that create and develop methods for property prediction in industry, academia, and the government laboratories to demonstrate the capabilities for their methods to predict properties for materials, properties, and state points that differ from those used in the original parameterization or "learning set" of their models.

NOTE: At the November 2006 AIChE annual meeting, in addition to announcing the champions for the 2006 challenge, we plan to announce to the next challenge problem based on the property transferability problem proposal.  The property transferability challenge will conclude at the November 2007 AIChE annual meeting.

Timeline

Announce the challenge: ACS (March 26, 2006)

Entries Due (Sept. 30, 2006)

Announce the champions: AIChE (Nov. 12-17 2006). The 3rd IFPSC is scheduled as a CoMSEF-sponsored session.

Emphasis of the
2006 Challenge:
Transferability

Benchmark Data:

State Conditions Transferability Problem

Molecule Transferability Problem

Challenge Problem Descriptions

State Conditions Transferability Problem

Molecule Transferability Problem


These challenge problems were designed with the goal of testing the transferability of methods for fluid property prediction, especially that of force field-based methods and classical molecular simulations.  Therefore, the challenge rules tend to be written in such a way that they implicitly assume the use of force field-based methods.  However, any theory, modeling, or simulation method may be used provided that the spirit of the rules are followed with respect to parameterization and application.

Entries should be sent by email to contest@ifpsc.org by September 30, 2006.

If you are uncertain about what is meant by any of the problem specifications or would like to receive further clarification, please contact the organizing committee at contest@ifpsc.org.

Simulation Challenge Links

Papers published after the 1st Challenge

Papers published after the 2nd Challenge

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