Experimental and theoretical studies of the C sub 2 H sub 5 + O sub 2 reaction kinetics

Journal Article · Wed Mar 07 23:00:00 EST 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100368a026· OSTI ID:7140483

Wagner, A F ^[1]; Slagle, I R; Sarzynski, D; Gutman, D ^[2]

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1. Argonne National Lab., IL (USA)
2. Catholic Univ. of America, Washington, DC (USA)

The thermal reaction between C{sub 2}H{sub 5} and O{sub 2}, which yields both C{sub 2}H{sub 5}O{sub 2} and C{sub 2}H{sub 4} + HO{sub 2}, has been studied both experimentally and theoretically. The experiments were conducted in a heatable tubular reactor coupled to a photoionization mass spectrometer. C{sub 2}H{sub 5} was produced by homogeneous 193- or 248-nm photolysis of suitable precursors. C{sub 2}H{sub 5} decay and C{sub 2}H{sub 4} growth profiles were recorded in time-resolved experiments. The measured reaction parameters include second-order rate constants for the loss of C{sub 2}H{sub 5} and the product branching ratio, (C{sub 2}H{sub 4})/((C{sub 2}H{sub 5}O{sub 2}) + (C{sub 2}H{sub 4})). Buffer gas (primarily He) pressures from 0.5 to 15 Torr were used. The theoretical study involved modeling the kinetics of the reaction with a coupled mechanism, one in which the reactive routes both begin by the reversible formation of a chemically activated C{sub 2}H{sub 5}O{sub 2}* adduct.

• OSTI ID: 7140483
• Journal Information: Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:5; ISSN 0022-3654; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
ALKYL RADICALS
CALCULATION METHODS
CHEMICAL REACTION KINETICS
COMBUSTION KINETICS
DATA
DATA ANALYSIS
ETHYL RADICALS
EXPERIMENTAL DATA
INFORMATION
KINETICS
MATHEMATICAL MODELS
MEASURING INSTRUMENTS
MEASURING METHODS
NUMERICAL DATA
RADICALS
REACTION KINETICS
THEORETICAL DATA