Academic Journal
Experimental and Theoretical Studies of Trans-2-Pentenal Atmospheric Ozonolysis
| العنوان: | Experimental and Theoretical Studies of Trans-2-Pentenal Atmospheric Ozonolysis |
|---|---|
| المؤلفون: | Kalalian, Carmen, Grira, Asma, Illmann, J.N., Patroescu-Klotz, I., El Dib, G., Coddeville, P., Canosa, André, Wiesen, P., Aazaad, B., Senthilkumar, L., Roth, Estelle, Tomas, A., Chakir, Abdelkhaleq |
| المساهمون: | Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Institut de Physique de Rennes (IPR), Université de Rennes (UR)-Centre National de la Recherche Scientifique (CNRS), University of Wuppertal, Ecole nationale supérieure Mines-Télécom Lille Douai (IMT Nord Europe), Institut Mines-Télécom Paris (IMT), Bharathiar University, Horizon 2020 Framework Programme, H2020: 730997, Ministère de l'Enseignement Supérieur et de la Recherche, MESR, Région Hauts-de-France, European Project: 730997,EUROCHAMP2020(2020) |
| المصدر: | ISSN: 2073-4433. |
| بيانات النشر: | HAL CCSD MDPI |
| سنة النشر: | 2022 |
| المجموعة: | Université de Rennes 1: Publications scientifiques (HAL) |
| مصطلحات موضوعية: | Chemical mechanism, DFT method, Green leaf volatiles (GLV), Ozonolysis, Reaction kinetics, SOA, Unsaturated aldehyde, Variational transition state theory, Molecular physics, [PHYS]Physics [physics] |
| الوصف: | International audience ; We investigated the kinetics, mechanism and secondary organic aerosols formation of the ozonolysis of trans-2-pentenal (T2P) using four different reactors with Fourier Transform InfraRed (FTIR) spectroscopy and Gas Chromatography (GC) techniques at T = 298 ± 2 K and 760 Torr in dry conditions. The rate coefficients and branching ratios were also evaluated using the canonical vari-ational transition (CVT) state theory coupled with small curvature tunneling (CVT/SCT) in the range 278–350 K. The experimental rate coefficient at 298 K was (1.46 ± 0.17) × 10−18 cm3 molecule−1 s−1, in good agreement with the theoretical rate. The two primary carbonyls formation yields, gly-oxal and propanal, were 57 ± 10% and 42 ± 12%, respectively, with OH scavenger compared to 38 ± 8% for glyoxal and 26 ± 5% for propanal without OH scavenger. Acetaldehyde and 2-hydroxypro-panal were also identified and quantified with yields of 9 ± 3% and 5 ± 2%, respectively, in the presence of OH scavenger. For the OH production, an upper limit of 24% was estimated using me-sitylene as OH tracer. Combining experimental and theoretical findings enabled the establishment of a chemical mechanism. Finally, the SOA formation was observed with mass yields of about 1.5%. This work provides additional information on the effect of the aldehyde functional group on the fragmentation of the primary ozonide. © 2022 by the authors. Licensee MDPI, Basel, Switzerland. |
| نوع الوثيقة: | article in journal/newspaper |
| اللغة: | English |
| Relation: | info:eu-repo/grantAgreement//730997/EU/European Union’s Horizon 2020 research and innovation programme under grant agreement/EUROCHAMP2020; hal-03596276; https://hal.science/hal-03596276; https://hal.science/hal-03596276/document; https://hal.science/hal-03596276/file/atmosphere-13-00291-v3.pdf |
| DOI: | 10.3390/atmos13020291 |
| الاتاحة: | https://hal.science/hal-03596276 https://hal.science/hal-03596276/document https://hal.science/hal-03596276/file/atmosphere-13-00291-v3.pdf https://doi.org/10.3390/atmos13020291 |
| Rights: | http://creativecommons.org/licenses/by/ ; info:eu-repo/semantics/OpenAccess |
| رقم الانضمام: | edsbas.969E3417 |
| قاعدة البيانات: | BASE |
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