Journal article · Conference paper
Measurement and modelling of hydrogen bonding in 1-alkanol plus n-alkane binary mixtures
Center for Phase Equilibria and Separation Processes, Department of Chemical and Biochemical Engineering, Technical University of Denmark1
Department of Chemical and Biochemical Engineering, Technical University of Denmark2
Center for Energy Resources Engineering, Centers, Technical University of Denmark3
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.
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| Language: | English |
|---|---|
| Year: | 2007 |
| Pages: | 272-280 |
| Proceedings: | 11th International Conference on Propeties and Phase Equilibria for Product and Process Design Crete |
| ISSN: | 18790224 and 03783812 |
| Types: | Journal article and Conference paper |
| DOI: | 10.1016/j.fluid.2007.05.004 |
| ORCIDs: | von Solms, Nicolas and Kontogeorgis, Georgios |
