Prediction of vapour-liquid equilibria for systems containing longer-chain alcohols and alkanes by various group-contribution methods |
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Authors: | Juergen Schmelzer Ingrid Lieberwirth |
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Institution: | Karl Marx Universität Leipzig, Sektion Chemie, DDR-7010, Leipzig G.D.R. |
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Abstract: | Comparisons are made of predicted excess free enthalpies provided by the parameters available for the ASOG model of Derr and Deal, the UNIFAC model of Fredenslund et al., and the CRG (chemical-reticular group-contribution) method of Neau and Péneloux. These methods are applied to predict vapour-liquid equilibria for alcohol-alkane systems having carbon numbers up to 16. Overall, the accuracy of prediction increases in the order UNIFAC, ASOG, CRG. |
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