STUDY OF THE BIMOLECULAR PYROLYSIS OF ACETIC-ACID BY THE AUSTIN MODEL-1 SEMIEMPIRICAL METHOD

Authors
Citation
Jj. Quirante, STUDY OF THE BIMOLECULAR PYROLYSIS OF ACETIC-ACID BY THE AUSTIN MODEL-1 SEMIEMPIRICAL METHOD, Journal of analytical and applied pyrolysis, 31, 1995, pp. 169-175
Citations number
16
Categorie Soggetti
Spectroscopy,"Chemistry Analytical
ISSN journal
01652370
Volume
31
Year of publication
1995
Pages
169 - 175
Database
ISI
SICI code
0165-2370(1995)31:<169:SOTBPO>2.0.ZU;2-J
Abstract
A bimolecular mechanism for the dehydration reactions involved in the pyrolysis of aliphatic acids of low molecular weight, e.g. acetic acid , was investigated theoretically by the semi-empirical AM1 (Austin Mod el 1) method. The AM1 results provide an acceptable description of the energy-related and structural aspects of the processes involved in th e pyrolysis of acetic acid.