Hydrogen-atom abstraction from alkanes by OH. 5. n-Butane
Absolute rate coefficients for the reactions of the hydroxyl radical with n-butane (k/sub 1/) and n-butane-d/sub 10/ (k/sub 2/) were determined by using the laser photolysis/laser-induced fluorescence technique. Kinetic data were obtained at a pressure of 400 Torr of helium over the temperature ranges 294-509 K (k/sub 1/) and 294-599 (k/sub 2/). Rate-coefficient results are fitted to the modified Arrhenius expressions k/sub 1/(T) = (2.34 x 10/sup -17/)T/sup 1.95/ exp(+267 cal mol/sup -1//RT) cm/sup 3/ molecule/sup -1/s/sup -1/ and k/sub 2/(T) = (2.92 x 10/sup -18/)T/sup 2.20/ exp(+65 cal mol/sup -1//RT)cm/sup 3/ molecules/sup -1/s/sup -1/. Utilizing results of previous OH + alkane studies, the authors determine site-specific rate coefficients for H- and D-atom abstraction by OH from the methyl and methylene groups in n-butane. The kinetic isotope effect for abstraction of H- and D-atoms from the methylene sites in n-butane is characterized, and it is found to be very similar to that measured for H- and D-atom transfer to OH from the secondary site in propane.
- Research Organization:
- Sandia National Labs., Livermore, CA
- OSTI ID:
- 7006031
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 90:22; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Pyrolysis
& High-Temperature Chemistry
500100 -- Environment
Atmospheric-- Basic Studies-- (-1989)
54 ENVIRONMENTAL SCIENCES
ALKANES
ARRHENIUS EQUATION
BUTANE
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DECOMPOSITION
DEUTERIUM COMPOUNDS
EQUATIONS
EXPERIMENTAL DATA
FLUORESCENCE
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROXYL RADICALS
INFORMATION
ISOTOPE EFFECTS
KINETICS
LASERS
LUMINESCENCE
NUMERICAL DATA
ORGANIC COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
RADICALS
REACTION INTERMEDIATES
REACTION KINETICS