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
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.