Measurement and modelling of hydrogen bonding in 1-alkanol plus n-alkane binary mixtures

Nicolas von Solms, Lars Jensen, Jonas L. Kofod, Michael Locht Michelsen, Georgios Kontogeorgis

Research output: Contribution to journalConference articleResearchpeer-review

Abstract

Two equations of state (simplified PC-SAFT and CPA) are used to predict the monomer fraction of 1-alkanols in binary mixtures with n-alkanes. It is found that the choice of parameters and association schemes significantly affects the ability of a model to predict hydrogen bonding in mixtures, even though pure-component liquid densities and vapour pressures are predicted equally accurately for the associating compound. As was the case in the study of pure components, there exists some confusion in the literature about the correct interpretation and comparison of experimental data and theoretical studies, which is clarified in the present work. New hydrogen bonding data based on infrared spectroscopy are reported for seven binary mixtures of alcohols and alkanes. (C) 2007 Elsevier B.V. All rights reserved.
Original languageEnglish
JournalFluid Phase Equilibria
Volume261
Issue number1-2
Pages (from-to)272-280
ISSN0378-3812
DOIs
Publication statusPublished - 2007
Event11th International Conference on Propeties and Phase Equilibria for Product and Process Design Crete - Crete, Greece
Duration: 20 May 200725 May 2007
Conference number: 11

Conference

Conference11th International Conference on Propeties and Phase Equilibria for Product and Process Design Crete
Number11
CountryGreece
CityCrete
Period20/05/200725/05/2007

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