Article ID Journal Published Year Pages File Type
5413754 Journal of Molecular Liquids 2006 12 Pages PDF
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.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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