BibTex format
@inproceedings{Popov:2005,
author = {Popov, AV and Eckert, CA and Liotta, CL and Shukla, CL and Hallett, JP and Hernandez, R},
title = {The cybotactic structure in gas-expanded liquids: Numerical simulations},
year = {2005}
}
RIS format (EndNote, RefMan)
TY - CPAPER
AB - Supercritical CO<inf>2</inf> is now commonly used in the formulation of several successful strategies for producing specialty chemicals satisfying environmentally "green" conditions while providing a simple route for separation of the product. Recent observations that some of these same objectives may be achieved using CO<inf>2</inf> with cosolvents below supercritical conditions appear promising. In particular, the fluid phase of these mixturestermed gas-expanded liquids, GXLs-can provide chosen solutes (e.g. reactants, catalysts, and products) substantial solubility and fast transport not available without the CO<inf>2</inf> cosolvent. What is not known entirely from experiment, however, is the degree of heterogeneity in the GXL, the possible persistence of local density enhancements seen in the supercritical phase into the GXL, and the possible existence of anisotropy in the cybotactic region around a probe. Such questions can be exquisitely addressed using numerical simulations. The present work will report the results of the anisotropic pair-correlation for several CO<inf>2</inf>-cosolvent mixtures. The synergy between these calculations and the experimental observations in addressing the possible use of this anisotropy to control reactivity will also be discussed.
AU - Popov,AV
AU - Eckert,CA
AU - Liotta,CL
AU - Shukla,CL
AU - Hallett,JP
AU - Hernandez,R
PY - 2005///
TI - The cybotactic structure in gas-expanded liquids: Numerical simulations
ER -