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Kinetics of the Thermal Reaction of H Atoms with Propyne

Published

Author(s)

Claudette M. Rosado-Reyes, Jeffrey A. Manion, Wing Tsang

Abstract

The reaction of hydrogen atoms with propyne(CH≡CCH3) has been investigated in a heated single pulse shock tube at temperatures of 870-1145K and pressures of 2-9 bar. Stable products from various reaction channels (terminal and non-terminal H addition, and by inference H abstraction) have been identified and quantified by gas chromatography and mass spectrometry. The rate constant for the channel involving the displacement of methyl radical from propyne (non-terminal H addition) was determined relative to the methyl displacement from 1,3,5-trimethylbenzene (1,3,5-TMB), with k (H + 1,3,5-TMB → m-Xylene + CH3) = 6.70 ¿ 1013 exp(-3255/T) cm3/mole•s, k (H + Propyne → CH≡CH + CH3) = 6.361013 exp(-2285/T) cm3/mole•sec (see document for complete abstract)
Citation
Journal of Physical Chemistry

Keywords

propyne, propargyl, H-atom, single pulse shock tube, displacement, abstraction, addition, high temperatures, pyrolysis
Created April 15, 2010, Updated February 19, 2017