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Title: Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy

Abstract

The pressure dependence of the OH + C2H4 addition reaction has been investigated using frequency modulated laser absorption spectroscopy to monitor OH kinetics. Bimolecular rate coefficients for the title reaction are reported in argon bath gas at room temperature and total pressures ranging from 2–361Torr. The pressure dependent rate coefficients measured here agree well with the majority of published kinetic studies under similar conditions. Previous high-level ab initio calculations have identified a pre-reaction complex on the OH + C2H4 potential energy surface. In conclusion, the influence of this complex on the OH + C2H4 kinetics has been investigated using one-dimensional master equation analyses of the current and previous experimental measurements

Authors:
 [1]; ORCiD logo [1];  [2];  [3]
  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Stony Brook Univ., Stony Brook, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1501591
Report Number(s):
BNL-211364-2019-JAAM
Journal ID: ISSN 0538-8066
Grant/Contract Number:  
SC0012704
Resource Type:
Accepted Manuscript
Journal Name:
International Journal of Chemical Kinetics
Additional Journal Information:
Journal Volume: 51; Journal Issue: 6; Journal ID: ISSN 0538-8066
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; frequency modulation spectroscopy; hydroxyl radical; kinetics; master equation

Citation Formats

Lockhart, James P. A., Hall, Gregory E., Gross, Eisen C., and Sears, Trevor J. Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy. United States: N. p., 2019. Web. doi:10.1002/kin.21265.
Lockhart, James P. A., Hall, Gregory E., Gross, Eisen C., & Sears, Trevor J. Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy. United States. doi:10.1002/kin.21265.
Lockhart, James P. A., Hall, Gregory E., Gross, Eisen C., and Sears, Trevor J. Mon . "Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy". United States. doi:10.1002/kin.21265. https://www.osti.gov/servlets/purl/1501591.
@article{osti_1501591,
title = {Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy},
author = {Lockhart, James P. A. and Hall, Gregory E. and Gross, Eisen C. and Sears, Trevor J.},
abstractNote = {The pressure dependence of the OH + C2H4 addition reaction has been investigated using frequency modulated laser absorption spectroscopy to monitor OH kinetics. Bimolecular rate coefficients for the title reaction are reported in argon bath gas at room temperature and total pressures ranging from 2–361Torr. The pressure dependent rate coefficients measured here agree well with the majority of published kinetic studies under similar conditions. Previous high-level ab initio calculations have identified a pre-reaction complex on the OH + C2H4 potential energy surface. In conclusion, the influence of this complex on the OH + C2H4 kinetics has been investigated using one-dimensional master equation analyses of the current and previous experimental measurements},
doi = {10.1002/kin.21265},
journal = {International Journal of Chemical Kinetics},
number = 6,
volume = 51,
place = {United States},
year = {2019},
month = {4}
}

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