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H Atom Attack on Propene

Published

Author(s)

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

Abstract

The reaction of propene(CH3CH=CH2) with hydrogen atoms has been investigated in a heated single-pulsed shock tube at temperature between 929K-1212K and pressures of 1.7bar-3.4bar. Stable products from H atom addition and H abstraction have been identified and quantified by GC-MS. The reaction for the H addition channel involving methyl displacement from propene has been determined relative to methyl displacement from 1,3,5-trimethylbenzene (1,3,5-TMB), leading to, k (H + Propene → H2C=CH2 + CH3) = 3.8 ¿ 1013 exp(-1972/T) cm3/mole•s The rate constant for the abstraction of the allylic hydrogen atom is determined to be, k (H + Propene → CH2CH=CH2 + H2) = 5.1 ¿ 1013 exp(-4059/T) cm3/mol•s The reaction of Propene + H has also been directly studied relative to the reaction of H + Propyne. The results showed that the rate constant for the methyl displacement reaction with propene is a factor of 1.04 ± 0.1 larger than that for propyne near 1000K. The present results are compared with relevant earlier data on related compounds.
Citation
Journal of Physical Chemistry A

Keywords

Combustion, Shock-Tube, Abstraction, Displacement, Propene, H Atoms

Citation

Rosado-Reyes, C. , Manion, J. and Tsang, W. (2011), H Atom Attack on Propene, Journal of Physical Chemistry A, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=906765 (Accessed March 1, 2024)
Created March 15, 2011, Updated February 19, 2017