Premium
Thermal decomposition of acetonitrile. Kinetic modeling
Author(s) -
Lifshitz Assa,
Tamburu Carmen
Publication year - 1998
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(1998)30:5<341::aid-kin4>3.0.co;2-s
Subject(s) - acetonitrile , chemistry , nitrile , acrylonitrile , thermal decomposition , decomposition , kinetic energy , atmospheric temperature range , sensitivity (control systems) , thermal , thermodynamics , kinetic scheme , computational chemistry , organic chemistry , physics , quantum mechanics , electronic engineering , engineering , copolymer , polymer
The thermal decomposition of acetonitrile in the temperature range 1350–1950 K is modeled with a reaction scheme containing 23 species and 43 elementary reactions. Values of {[product] t /[CH 3 CN] 0 }/ t , which were reported in a previous investigation are computed with this scheme at 50 K intervals and are compared with the values reported in the literature. Except for acrylonitrile and propyl nitrile at the high‐temperature end of the study, very good agreement between the calculation and the experiment is obtained. A sensitivity spectrum of the kinetic scheme is shown and a discussion of the overall mechanism is presented. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet 30: 341–347, 1998