Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5412798 | Journal of Molecular Liquids | 2010 | 8 Pages |
Abstract
Recently the chemical association lattice model (CALM) was introduced and applied to the calculation of excess functions and phase equilibria of binary and ternary systems with one associating component. In this paper CALM is extended to the case of cross association in binary systems. On the one hand, the model is applied to binary systems consisting of two associating components (methanol + water, ethanol + water, methanol + aniline). On the other hand binary systems consisting of a strong polar component and an associating component are studied (2-butanone + methanol, 2-butanone + ethanol, trichlormethane + methanol). Molecules as 2-butanone and trichlormethane do not form self associates but are able to form cross associates if an associating second component is present. Generally, excess Gibbs energy, excess enthalpy and vapor-liquid equilibrium are calculated and compared to experimental data. Except the excess enthalpy of the system ethanol + water there is a good agreement of the calculated data with the experimental ones.
Keywords
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
D. Browarzik,