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 language | English (US) |
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Pages (from-to) | 5430-5437 |
Number of pages | 8 |
Journal | Journal of Physical Chemistry A |
Volume | 109 |
Issue number | 24 |
DOIs | |
State | Published - Jun 23 2005 |