Chemical activation analysis of the reaction of C sub 2 H sub 5 with O sub 2

Journal Article · Thu Apr 19 04:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100371a021· OSTI ID:6945527

Bozzelli, J W; Dean, A M ^[1]

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1. Exxon Research and Engineering Co., Annandale, NJ (USA)

The addition reactions of ethyl radical with molecular oxygen to form the energized adduct C{sub 2}H{sub 5}O{sub 2}* and the reactions of the adduct to varied products have been analyzed by using the bimolecular version of the quantum Rice-Ramsperger-Kassel (QRRK) theory for temperatures from 200 to 1,800 K and pressures between 0.001 and 10 atm in helium and nitrogen bath gases. The calculations satisfactorily explain the observed low-pressure (0.5-13 Torr) rate constants of Slagle et al, for loss of ethyl and production of ethylene over their temperature range (300-900 K) in addition to the room-temperature data for C{sub 2}H{sub 4} production of Kaiser et al. over a pressure range of 1-6,000 Torr.

• OSTI ID: 6945527
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:8; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400200* -- Inorganic
Organic
& Physical Chemistry
400800 -- Combustion
Pyrolysis
& High-Temperature Chemistry
ACTIVATION ANALYSIS
ALKYL RADICALS
CALCULATION METHODS
CHEMICAL ANALYSIS
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
ELEMENTS
ETHYL RADICALS
HYDROCARBONS
INFORMATION
KINETICS
MATHEMATICAL MODELS
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
OXIDATION
OXYGEN
RADICALS
REACTION KINETICS
THEORETICAL DATA