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Shock wave and theoretical modeling study of the dissociation of CH2F2 II. Secondary reactions.

MPS-Authors
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Sölter,  L.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Tellbach,  E.
Department of Dynamics at Surfaces, MPI for Biophysical Chemistry, Max Planck Society;

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Troe,  J.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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2483816_Suppl.pdf
(Supplementary material), 412KB

Citation

Cobos, C. J., Knight, G., Sölter, L., Tellbach, E., & Troe, J. (2017). Shock wave and theoretical modeling study of the dissociation of CH2F2 II. Secondary reactions. Journal of Physical Chemistry A, 121(41), 7820-7826. doi:10.1021/acs.jpca.7b05857.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-FCCC-6
Abstract
The thermal dissociation of CH2F2 and the reaction of CF2 with H2 was studied in shock waves over the temperature range 1800 – 2200 K, monitoring absorption-time profiles at 248 nm. Besides contributions from CF2, the signals showed strong absorptions from secondary reaction products, probably mostly CH2F formed by the reaction of CHF + H2 → CH2F + H. Rate constants of a series of possible secondary reactions were modeled, such as falloff curves for the thermal dissociations of CHF, CHF2, and CH2F and rate constants of the reactions CHF + CH2F2 → CHF2 + CH2F, CHF + H2 → CH2F + H, H+ CH2F2 → CHF2 + H2, H + CF2 → CF + HF, and H + CF → C + HF. On this basis concentration-time profiles were simulated and compared with experimental absorption-time profiles.