Acetic acid vapor: 1. Statistical/quantum mechanical models of the ideal vapor

Sarah M Lofgren, Paul R. Mahling, James B. Togeas

Research output: Contribution to journalArticle

11 Scopus citations

Abstract

Two statistical mechanical/quantum computational models are developed for the ideal acetic acid vapor. One describes the equilibrium of the cis-monomer and the ring dimer and the other the equilibrium of a mixture of oligomers. Ten quantum computational models of the acetic acid ring dimer have been compared in developing these models. The end product of this work is a critical tool for assessing experimental vapor density studies of acetic acid reported in the literature.

Original languageEnglish (US)
Pages (from-to)5430-5437
Number of pages8
JournalJournal of Physical Chemistry A
Volume109
Issue number24
DOIs
StatePublished - Jun 23 2005

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