On the calculation of nearest neighbors in activity coefficient models

Abstract

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Dispersion activity coefficient models. Part 1: Cubic equations of state

“…where f k and q k are the volume and surface fraction of compound 1 in the mixture, respectively. This expression in combination with the residual part of the UNIQUAC model or COSMOSPACE model gives better results for binary equilibria of alkane-alkane and alkane alcohol systems [46] than the combination with original Staverman-Guggenheim combinatorial activity coefficient model. Substitution of Eqs.…”

Solutions, in Particular Dilute Solutions of Nonelectrolytes: A Review

“…the Dortmund Data Bank [70]. Based on this wealth of experimental information, wellhoned semi-empirical models, such as UNIFAC [130][131][132][133][134][135][136], DISQUAC [137][138][139][140], and the recent MOQUAC model [141] have been developed for correlating, extrapolating and predicting, in particular, molar excess Gibbs energies G E and molar excess enthalpies H E , over reasonably large temperature ranges. However, estimated infinite-dilution properties, aqueous solubilities of hydrocarbons, and excess heat capacities C E P of liquid mixtures are frequently not satisfactory [142].…”