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Electrostriction effects on competing transition states in supercritical fluoroform
Journal article   Peer reviewed

Electrostriction effects on competing transition states in supercritical fluoroform

D.F. Parsons, B.I. Boone, P.G. Jessop and S.C. Tucker
The Journal of Supercritical Fluids, Vol.24(2), pp.173-181
2002
DOI: https://doi.org/10.1016/S0896-8446(02)00032-3
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Abstract

A compressible continuum model for supercritical fluoroform is used to model enantiomeric selectivities measured experimentally by Jessop et al. While oversimplified models, which exaggerate the importance of the electrostriction effect, do produce a non-monotonic density-dependence similar to that observed experimentally, more realistic continuum calculations do not. From these more realistic calculations we conclude that although electrostriction can cause the high-density limit of such selectivities to be attained at much lower densities than would be expected in the absence of electrostriction, it would be very unlikely for this effect to generate a non-monotonic density dependence.

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Citation topics
2 Chemistry
2.89 Ionic, Molecular & Complex Liquids
2.89.1121 Supercritical Carbon Dioxide
Web Of Science research areas
Chemistry, Physical
Engineering, Chemical
ESI research areas
Chemistry
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