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| Titel |
New Structure-Activity Relationships (SAR) for H atom abstraction branching ratio for OH reaction with alkenes and dienes |
| VerfasserIn |
J.-C. Loison, C. Rio, F. Caralp, P.-M. Flaud, E. Villenave |
| Konferenz |
EGU General Assembly 2009
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| Medientyp |
Artikel
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| Sprache |
Englisch
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| Digitales Dokument |
PDF |
| Erschienen |
In: GRA - Volume 11 (2009) |
| Datensatznummer |
250027037
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| Zusammenfassung |
| Large amounts of unsaturated hydrocarbons are continuously being emitted into the
Earth’s atmosphere, originating from both biogenic and anthropogenic sources.
The degradation of unsaturated VOCs in the troposphere is mainly initiated by
reactions with OH radicals. For these OH reactions the addition channel is always the
dominant one. However there are some contributions from hydrogen abstraction
reactions, which can contribute up to 40% of the total rate coefficient. Because of
the large variety of VOCs emitted in the atmosphere, it is impossible to pretend
to study the reactions for each compound separately in laboratory experiments
or by theoretical work. A solution is to develop Structure-Activity Relationships
(SAR) for the various reaction pathways, which allows for the prediction of total
rate constants and detailed primary product distributions. In our work we have
measured the branching ratios between the abstraction and addition channels for various
OH + alkenes (and dienes) reactions. We propose, from our experimental H atom
abstraction branching ratio, a new Structure-Activity Relationships (SAR) based on
Atkinson SAR concept but including new data on H atom abstraction channels. |
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