| Literature DB >> 16839070 |
Sarah M Lofgren1, Paul R Mahling, James B Togeas.
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.Entities:
Year: 2005 PMID: 16839070 DOI: 10.1021/jp058003r
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781