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Soutenance de thèse

Yijie Shi

CEREA

Molecular modeling of β-caryophyllene secondary organic aerosols and markers: mechanism development and reduction

Date 29/06/2026 09:30
Diplôme Institut Polytechnique de Paris
Lieu INERIS, Salle CAMPANULE, Parc Technologique Alata BP 2, 60550 Verneuil-en-Halatte

Résumé

This thesis studies how β-caryophyllene, a volatile organic compound emitted from natural sources, changes in the atmosphere. When it reacts with oxidants in the air, it undergoes a series of chemical and physical processes that can lead to the formation of secondary organic aerosol (SOA), tiny particles that affect air quality, climate, and human health.

This work develops a new chemical mechanism to better describe how these particles form, grow, and change in composition. The mechanism was tested against published laboratory data and was shown to perform well under different temperatures. The study also identifies the key factors controlling particle formation. The new mechanism was then applied under near-realistic atmospheric conditions to evaluate the potential formation of SOA. Finally, a simplified version of the mechanism was created so that it can be more easily used in large-scale air quality and climate models.

Informations supplémentaires

Location
INERIS, Salle CAMPANULE, Parc Technologique Alata BP 2, 60550 Verneuil-en-Halatte

Online meeting link
Microsoft Teams meeting
Join here: https://teams.microsoft.com/meet/36183110105234?p=18nit697B41hajDyWO
Meeting ID: 361 831 101 052 34
Passcode: oV7xt9pt

Composition du jury

Solène Turquety, Professor, LATMOS, Sorbonne University 

Alexandre Tomas, Professor, CERI EE,  IMT Nord Europe

Barbara D’Anna, Research Director, LCE, Aix-Marseille University

Laurent Deguillaume, Physicist, OPGC, Clermont Auvergne University

Didier Hauglustaine, Research Director, LSCE, Paris-Saclay University

Karine Sartelet, Professor, CEREA, ENPC, IPParis

Florian Couvidat, INERIS