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PUBLICATIONS

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
Pub Type
Journals

Keywords

propyne, propargyl, H-atom, single pulse shock tube, displacement, abstraction, addition, high temperatures, pyrolysis
Chemistry, Chemical engineering and processing, Chemical thermodynamics and chemical properties, Theoretical chemistry and modeling, Energy, Conventional energy, Fuels, Environment, Greenhouse gas measurements, Transportation, Aerospace and Automotive

Citation

Rosado-Reyes, C. , Manion, J. and Tsang, W. (2010), Kinetics of the Thermal Reaction of H Atoms with Propyne, Journal of Physical Chemistry (Accessed December 4, 2023)

Created April 15, 2010, Updated February 19, 2017