Development of a QSPR correlation for the parachor of 1,3-dialkyl imidazolium based ionic liquids

Ramesh Gardas, David Rooney, Christopher Hardacre

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Ionic liquids have received significant interest from both academia and industry for a wide range of applications which often requires knowledge of their thermophysical properties. Quantitative structure-property relationship correlations and group contribution methods for thermophysical properties of ionic liquids are a basic necessity for the development of computer aided molecular design approaches for these liquids and subsequently offer the potential for designing an ionic liquid having a desirable set of thermophysical properties. However, the limited availability of experimental thermophysical data and their quality have prevented the development of such tools. Based on previously reported experimental surface tension data, a correlation of the parachors with the molar volume of the ionic liquids has been developed. The predicted parachor values have been shown to be in good agreement with the experimental data. A maximum deviation of
Original languageEnglish
Pages (from-to)31-37
Number of pages7
JournalFluid Phase Equilibria
Volume283
Issue number1-2
DOIs
Publication statusPublished - 15 Sep 2009

ASJC Scopus subject areas

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

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