Clustering in supercritical mixtures: Theory, applications and simulations

Pablo G. Debenedetti, Irena B. Petsche, Rahoma S. Mohamed

Research output: Contribution to journalArticlepeer-review

29 Scopus citations

Abstract

Mixtures composed of small amounts of a solute in a near-critical solvent exhibit one of three possible types of behavior: attractive, weakly attractive, and repulsive. Each regime is characterized by the signs of the diverging solute partial molar properties, and of the excess number of solvent molecules surrounding a solute molecule with respect to bulk conditions (cluster size). Attractive behavior underlies all of the actual or proposed applications of supercritical fluids. Computer simulations of model near-critical mixtures suggest that, in attractive mixtures, enhanced solute-solvent interactions involve not only long-ranged effects, but also a pronounced solvent enrichment around solute molecules with respect to bulk conditions.

Original languageEnglish (US)
Pages (from-to)347-356
Number of pages10
JournalFluid Phase Equilibria
Volume52
Issue numberC
DOIs
StatePublished - Dec 1989

All Science Journal Classification (ASJC) codes

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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