Predictive Ability of the MOSCED and UNIFAC Activity Coefficient Estimation Methods

Jung Hag Park; Peter W Carr

doi:10.1021/ac00148a015

Predictive Ability of the MOSCED and UNIFAC Activity Coefficient Estimation Methods

Jung Hag Park, Peter W Carr

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

15 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 language	English (US)
Pages (from-to)	2596-2602
Number of pages	7
Journal	Analytical Chemistry
Volume	59
Issue number	21
DOIs	https://doi.org/10.1021/ac00148a015
State	Published - Jan 1 1987

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AB - 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.

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Predictive Ability of the MOSCED and UNIFAC Activity Coefficient Estimation Methods

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