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Kinetic study and modeling of the hetero‐homogeneous pyrolysis and oxidation of isobutane around 800 K. Part I. Pyrolysis in an unpacked pyrex reactor
Author(s) -
Zils R.,
Martin R.,
Perrin D.
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)30:6<425::aid-kin5>3.0.co;2-u
Subject(s) - isobutane , chemistry , hydrogen atom abstraction , propene , reaction rate constant , pyrolysis , radical , hydrogen , methane , torr , reactivity (psychology) , photochemistry , organic chemistry , thermodynamics , kinetics , catalysis , medicine , physics , alternative medicine , pathology , quantum mechanics
Isobutane pyrolysis is studied in an unpacked Pyrex reactor at 20–100 torr initial pressures and 750–793 K. Results are interpreted in terms of a long chain radical mechanism and the reaction is modeled. The reaction selectivity or ratio of the initial production rate of isobutene (or hydrogen) to that of propene (or methane) is practically given by the ratio of the rate constant of abstraction of a tertiary hydrogen atom of isobutane to that of a primary one. A sensitivity analysis clearly shows that self‐inhibition is essentially due to methylallyl radicals produced by hydrogen abstraction from isobutene. The model has been manually adjusted to experimental results and most of the adjusted rate constants are in agreement with literature data. © 1998 John Wiley & Sons, Inc. Int J Chem Kinet: 30: 425–437, 1998