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Comparison of methods for the determination of key reactions in chemical systems: Application to Titan's atmosphere

hal.structure.identifierLaboratoire d'Astrophysique de Bordeaux [Pessac] [LAB]
hal.structure.identifierObservatoire aquitain des sciences de l'univers [OASU]
hal.structure.identifierLaboratoire d'astrodynamique, d'astrophysique et d'aéronomie de bordeaux [L3AB]
hal.structure.identifierUniversité Sciences et Technologies - Bordeaux 1 [UB]
dc.contributor.authorDOBRIJEVIC, M.
hal.structure.identifierLaboratoire d'Astrophysique de Bordeaux [Pessac] [LAB]
hal.structure.identifierObservatoire aquitain des sciences de l'univers [OASU]
hal.structure.identifierLaboratoire d'astrodynamique, d'astrophysique et d'aéronomie de bordeaux [L3AB]
hal.structure.identifierUniversité Sciences et Technologies - Bordeaux 1 [UB]
hal.structure.identifierLaboratoire Atmosphères, Milieux, Observations Spatiales [LATMOS]
dc.contributor.authorHÉBRARD, Eric
hal.structure.identifierLaboratoire de Chimie Physique D'Orsay [LCPO]
hal.structure.identifierUniversité Paris-Sud - Paris 11 [UP11]
dc.contributor.authorPLESSIS, S.
hal.structure.identifierPLANETO - LATMOS
dc.contributor.authorCARRASCO, Nathalie
hal.structure.identifierLaboratoire de Chimie Physique D'Orsay [LCPO]
hal.structure.identifierUniversité Paris-Sud - Paris 11 [UP11]
dc.contributor.authorPERNOT, P.
hal.structure.identifierInstitut des Sciences Moléculaires de Marseille [ISM2]
dc.contributor.authorBRUNO-CLAEYS, M.
dc.date.issued2010
dc.identifier.issn0273-1177
dc.description.abstractEnA new paradigm is emerging in the field of photochemistry modeling in giant planets and Titan atmospheres. The emphasis is placed on the accurate predictions of the models and the quantification of their uncertainties. In order to improve photochemical models pre- dictions, it is necessary to identify in chemical schemes the key reactions that should be studied in priority at conditions relevant to plan- etary atmospheres. We discuss the notion of key reactions in chemical schemes and we compare several methods dedicated to the search for these reactions. Our study focuses on the methods that have been published in the field of hydrocarbons photochemistry for giant planets and Titan atmospheres. These methods can be grouped into three families: determination of production paths, local sensitivity analysis methods and global sensitivity analysis methods. We first compare all these methods using a simple 0D photochemical toy model of Titan's atmosphere as a study case. Then, we applied sensitivity analysis methods to a realistic hydrocarbons scheme. We show that, due to the current large uncertainty factors of the rate constants at low temperature (100 K < T < 200 K) and the nonlinearities in hydrocarbons photochemical models, global methods should be preferred to infer key reactions.
dc.language.isoen
dc.publisherElsevier
dc.subject.enPhotochemistry
dc.subject.enSensitivity analysis
dc.subject.enTitan's atmosphere
dc.subject.enExperimental design
dc.subject.enUncertainty propagation
dc.title.enComparison of methods for the determination of key reactions in chemical systems: Application to Titan's atmosphere
dc.typeArticle de revue
dc.identifier.doi10.1016/j.asr.2009.06.005
dc.subject.halPlanète et Univers [physics]/Astrophysique [astro-ph]/Planétologie et astrophysique de la terre [astro-ph.EP]
dc.subject.halPhysique [physics]/Astrophysique [astro-ph]/Planétologie et astrophysique de la terre [astro-ph.EP]
bordeaux.journalAdvances in Space Research
bordeaux.page77-91
bordeaux.volume45
bordeaux.issue1
bordeaux.peerReviewedoui
hal.identifierhal-00429222
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00429222v1
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