Shannon, RJ, Robertson, SH, Blitz, MA et al. (1 more author) (2016) Bimoloacular Reactions of Activated Species: An Analysis of Problematic HC(O)C(O) chemistry. Chemical Physics Letters, 661. pp. 58-64. ISSN 0009-2614
Abstract
Experimental studies have demonstrated the importance of non-thermal bimolecular association chemistry. Recently a fully reversible method for incorporating any number of such non-thermal reactions into a single master equation has been developed (Green and Robertson, 2014) [10]. Using this methodology experimental results for the system: (1) (CHO)2 + OH → HC(O)C(O) + H2O, (2) HC(O)C(O) → HCO + CO, (3) HC(O)C(O) + O2 → OH + CO + CO2, are modeled, reproducing the temperature and pressure dependence of the OH yield. An issue remains as to how to model energy partition into HC(O)C(O).
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2016 Elsevier B.V. All rights reserved. This is an author produced version of a paper published in Chemical Physics Letters. Uploaded in accordance with the publisher's self-archiving policy. |
Keywords: | Multiple reaction master equation; Non-equilibrium; Prior distribution; Kinetics |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 12 Sep 2016 13:11 |
Last Modified: | 03 Nov 2017 03:10 |
Published Version: | http://10.0.3.248/j.cplett.2016.08.055 |
Status: | Published |
Publisher: | Elsevier |
Identification Number: | 10.1016/j.cplett.2016.08.055 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:104220 |