Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5413754 | Journal of Molecular Liquids | 2006 | 12 Pages |
Abstract
Alkoxyethanol + linear monoether, or + 1-alkanol mixtures have been investigated in terms of the DISQUAC and ERAS models and using the so-called concentration-concentration structure factor, SCC(0). DISQUAC and ERAS interaction parameters are reported. DISQUAC describes consistently a whole set of thermodynamic properties: vapor-liquid equilibria, VLE, molar excess functions as Gibbs energy, GE, enthalpy, HE, or heat capacity at constant pressure, CPE and SCC(0). In the framework of DISQUAC, the intramolecular H-bonds between the O and OH of the cellosolve are independent, except for short chain ethers, of the molecular environment (linear ether, or 1-alcohol). ERAS describes systems with dibutylether by means of a large physical contribution to the excess thermodynamic properties. The model overestimates the self-association of the lower 1-alkanols in their mixtures with 2-alkoxyethanols, which leads to a poor representation of the properties of such systems. Mixtures with dibutylether are characterized by homocoordination with interactions which can be assumed to be of dipolar type. In systems with 1-alkanols, interactions between like and unlike molecules and structural effects are compensated, and SCC(0) is nearly ideal.
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Physical Sciences and Engineering
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Authors
J.A. González, J.C. Cobos, I. Mozo, I. GarcÃa de la Fuente,