Thermodynamics of Lewis acid‐base mixtures

Ioannis Economou, George D. Ikonomou, P. Vimalchand, Marc D. Donohue

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Abstract

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.

Original languageEnglish
Pages (from-to)1851-1864
Number of pages14
JournalAICHE Journal
Volume36
Issue number12
DOIs
Publication statusPublished - 1990
Externally publishedYes

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ASJC Scopus subject areas

  • Biotechnology
  • Environmental Engineering
  • Chemical Engineering(all)

Cite this

Economou, I., Ikonomou, G. D., Vimalchand, P., & Donohue, M. D. (1990). Thermodynamics of Lewis acid‐base mixtures. AICHE Journal, 36(12), 1851-1864. https://doi.org/10.1002/aic.690361209