Thermochemical property, pathway and kinetic analysis on the reactions of allylic isobutenyl radical with O2: An elementary reaction mechanism for isobutene oxidation

Authors

Chiung Ju Chen, Newark College of Engineering
Joseph W. Bozzelli, Newark College of Engineering

Document Type

Article

Publication Date

11-2-2000

Abstract

Allylic isobutenyl radicals were reacted with oxygen and the process was investigated. The thermochemical properties, mechanism pathway, and the reaction kinetics of the reaction were also analyzed using quantum Rice-Ramsperger-Kassel (ORRK) and ab-initio theory. An elementary reaction mechanism for the isobutenyl oxidation was also constructed and evaluated.

Identifier

0034322717 (Scopus)

Publication Title

Journal of Physical Chemistry A

External Full Text Location

https://doi.org/10.1021/jp001060u

ISSN

10895639

First Page

9715

Last Page

9732

Issue

43

Volume

104

Recommended Citation

Chen, Chiung Ju and Bozzelli, Joseph W., "Thermochemical property, pathway and kinetic analysis on the reactions of allylic isobutenyl radical with O2: An elementary reaction mechanism for isobutene oxidation" (2000). Faculty Publications. 15530.
https://digitalcommons.njit.edu/fac_pubs/15530