3rd IFPSC (2006)

 
We're pleased to announce the details of the 3rd Industrial Fluid Properties
Simulation Challenge.



Problem 1: A test of the ability of property prediction methods to
extrapolate from one state point to another (state conditions
transferability). 

For a binary mixture of ethanol and 1,1,1,2,3,3,3-heptafluoropropane compute
the bubble point (or total pressure) at constant temperature T = 343.13 K
(69.98 °C) for seven different mole fractions. Bubble point pressures for
mixtures at 283.17 K (10.02 °C) are provided.



Problem 2: A test of the ability of theory/modeling/simulation methods to
predict properties for a range of related materials, using the same input
parameters (molecule transferability).

For the following molecules: 

(i)   1,4-butanediol 
(ii)  1,3-butanediol
(iii) 1,2-butanediol
(iv) 2-methyl-1,3-propanediol
(v)  1,2,4-butanetriol 

Compute the low-strain rate limit (Newtonian) viscosity at (a) T = 373K,
P=0.1Mpa, (b) T = 373K, P=250MPa 



Any theory/modeling/simulation method can be used (within the rules and
limitations set out at the IFPSC website). This is a blind test. The new
experimental data that will be used to judge the entries will not be
revealed until the contest closes.

Entries should be submitted by September 30th 2006. All participants are
invited to attend a special session during the AIChE annual meeting,
November 12-17, when the champions of the 3rd IFPSC will be announced, and
prizes will be awarded. 

Full details are available at http://fluidproperties.org/



The IFPSC is an industry-led initiative aimed at promoting and encouraging
the development of techniques for the prediction of industrially relevant
fluid properties. The activities of the group are supported by the
Computational Molecular Science and Engineering Forum (CoMSEF) of the
American Institute of Chemical Engineers (AIChE), the Computational
Chemistry (COMP) and Physical Chemistry (PHYS) divisions of the American
Chemical Society (ACS), The Dow Chemical Company, NIST, Case Scientific,
ExxonMobil, Mitsubishi Chemical, 3M Company, and DuPont.

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