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Evaluation of isoprene degradation in the detailed tropospheric chemical mechanism, MCM v3, using environmental chamber data

dc.contributor.authorPinho, P.G.
dc.contributor.authorPio, C.A.
dc.contributor.authorJenkin, M.E.
dc.date.accessioned2016-12-19T13:41:53Z
dc.date.available2016-12-19T13:41:53Z
dc.date.issued2005
dc.description.abstractThe isoprene degradation mechanism included in version 3 of the Master Chemical Mechanism (MCM v3) has been evaluated and refined, using the Statewide Air Pollution Research Center (SAPRC) environmental chamber datasets on the photo-oxidation of isoprene and its degradation products, methacrolein (MACR) and methylvinyl ketone (MVK). Prior to this, the MCM v3 butane degradation chemistry was also evaluated using chamber data on the photo-oxidation of butane, and its degradation products, methylethyl ketone (MEK), acetaldehyde (CH3CHO) and formaldehyde (HCHO), in conjunction with an initial evaluation of the chamber-dependent auxiliary mechanisms for the series of relevant chambers. The MCM v3 mechanisms for both isoprene and butane generally performed well and were found to provide an acceptable reaction framework for describing the NOx-photo-oxidation experiments on the above systems, although a number of parameter modifications and refinements were identified which resulted in an improved performance. All these relate to the magnitude of sources of free radicals from organic chemical process, such as carbonyl photolysis rates and the yields of radicals from the reactions of O3 with unsaturated oxygenates, and specific recommendations are made for refinements. In addition to this, it was necessary to include a representation of the reactions of O(3P) with isoprene, MACR and MVK (which were not previously treated in MCM v3), and conclusions are drawn concerning the required extent of free radical formation from these reactions. Throughout the study, the performance of MCM v3 was also compared with that of the SAPRC-99 mechanism, which was developed and optimized in conjunction with the chamber datasets.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationPinho, P., Pio, C., & Jenkin, M. (2005). Evaluation of isoprene degradation in the detailed tropospheric chemical mechanism, MCM v3, using environmental chamber data. Atmospheric Environment, 39(7), 1303–1322. https://doi.org/10.1016/j.atmosenv.2004.11.014pt_PT
dc.identifier.doi10.1016/j.atmosenv.2004.11.014pt_PT
dc.identifier.issn1352-2310
dc.identifier.urihttp://hdl.handle.net/10400.19/3542
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relation.publisherversionhttp://www.journals.elsevier.com/atmospheric-environmentpt_PT
dc.subjectVOC oxidationpt_PT
dc.subjectButanept_PT
dc.subjectFormaldehydept_PT
dc.subjectAcetaldehydept_PT
dc.subjectMethylethyl ketonept_PT
dc.subjectIsoprenept_PT
dc.subjectMethacroleinpt_PT
dc.subjectMethylvinyl ketonept_PT
dc.subjectTropospheric chemistrypt_PT
dc.subjectDegradation mechanismspt_PT
dc.subjectEnvironmental chamber datapt_PT
dc.subjectOzone modellingpt_PT
dc.titleEvaluation of isoprene degradation in the detailed tropospheric chemical mechanism, MCM v3, using environmental chamber datapt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage1322pt_PT
oaire.citation.issue7pt_PT
oaire.citation.startPage1303pt_PT
oaire.citation.titleAtmospheric Environmentpt_PT
oaire.citation.volume39pt_PT
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT

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