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Thermodynamics of Lewis acid‐base mixtures
Author(s) -
Economou Ioannis G.,
Ikonomou George D.,
Vimalchand P.,
Donohue Marc D.
Publication year - 1990
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.690361209
Subject(s) - unifac , chemistry , thermodynamics , hydrogen bond , molecule , base (topology) , lewis acids and bases , chemical polarity , equation of state , anisotropy , binary number , ternary operation , london dispersion force , chain (unit) , activity coefficient , computational chemistry , organic chemistry , physics , catalysis , mathematical analysis , mathematics , aqueous solution , quantum mechanics , computer science , van der waals force , arithmetic , astronomy , programming language
The associated perturbed‐anisotropic‐chain theory (APACT) has been applied to treat multicomponent mixtures, in which components exhibit Lewis acid‐base interactions. Mixtures of amphoteric molecules (such as alcohols), acidic molecules (such as chloroform), and basic molecules (such as ketones) as well as nonassociating components (diluents) are treated. The acid‐base version of the perturbed‐anisotropic‐chain theory (ABPACT) is a closed form equation of state that takes into account explicitly dispersion interactions, polar interactions, and hydrogen bonding interactions between components that self‐associate or solvate. The equation fits binary VLE mixtures quite accurately. Calculated results also are compared with those obtained from the Peng‐Robinson equation of state, UNIFAC and the original APACT. In all cases where there are mixtures of associating components, the ABPACT gives a better fit of experimental data than these other equations.