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.
|Journal||Fluid Phase Equilibria|
|Publication status||Published - 2007|
|Event||11th International Conference on Propeties and Phase Equilibria for Product and Process Design Crete - Crete, Greece|
Duration: 20 May 2007 → 25 May 2007
Conference number: 11
|Conference||11th International Conference on Propeties and Phase Equilibria for Product and Process Design Crete|
|Period||20/05/2007 → 25/05/2007|