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) |
|---|---|
| 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 |
Fingerprint
Dive into the research topics of 'Acetic acid vapor: 1. Statistical/quantum mechanical models of the ideal vapor'. Together they form a unique fingerprint.Cite this
- APA
- Standard
- Harvard
- Vancouver
- Author
- BIBTEX
- RIS