Predictive Ability of the MOSCED and UNIFAC Activity Coefficient Estimation Methods

Jung Hag Park, Peter W Carr

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

The accuracy of prediction of by MOSCED and UNIFAC activity coefficient estimation models was assessed by comparing the predicted data with experimental values for six prototypical solutes (octane, 2-butanone, ethanol, toluene, p-dloxane, and nltromethane) In a series of homologous n-alkanes, n-alcohols and n-alkyinitrlles. Several systematic problems inherent In both models have been Identified and possibilities for Improving the approaches are suggested.

Original languageEnglish (US)
Pages (from-to)2596-2602
Number of pages7
JournalAnalytical Chemistry
Volume59
Issue number21
DOIs
StatePublished - Jan 1 1987

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