Chemical kinetics of representative quinones
| Autor: | Lizardo Huerta, Juan Carlos, Taamalli, Sonia, Sood, Kanika, Gasnot, Laurent, Louis, Florent, El Bakali, Abderrahman, Tran, Luc-Sy |
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| Přispěvatelé: | Physicochimie des Processus de Combustion et de l’Atmosphère - UMR 8522 (PC2A), Université de Lille-Centre National de la Recherche Scientifique (CNRS), This work was supported by the I-SITE ULNE through the 'Biofuel-Soot' project (R-JEUNES-19-010-TRAN), High performance computing resources were provided by the Centre de Resources Informatiques (CRI) of the University of Lille and IDRIS under the allocation 2020-101578 made by GENCI., The authors thank the Région Hauts-de-France, and the Ministère de l’Enseignement Supérieur et de la Recherche (CPER Climibio), and the European Fund for Regional Economic Development for their support., ANR-11-LABX-0005,Cappa,Physiques et Chimie de l'Environnement Atmosphérique(2011), Louis, florent, Physiques et Chimie de l'Environnement Atmosphérique - - Cappa2011 - ANR-11-LABX-0005 - LABX - VALID |
| Jazyk: | angličtina |
| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | 26th International Symposium on Gas Kinetics and Related Phenomena 26th International Symposium on Gas Kinetics and Related Phenomena, Aug 2022, Rennes, France. |
| Popis: | International audience; This research focuses on the study of the reaction kinetics of Oxygenated Polycyclic Aromatic Hydrocarbons (OPAHs). OPAHs are formed during incomplete combustion processes of hydrocarbons, biofuels and biomass. Nowadays, OPAHs are becoming more important because more and more alternative fuels are being used to mitigate the effect of fossil fuels on global warming. This is due to the fact that the composition of some biofuels includes aromatic rings with oxygen atoms and that their decomposition processes lead almost directly to the formation of OPAHs. Recent studies show a significantly higher toxicity for OPAHs than for conventional PAHs. This is because, like PAHs, OPAHs can be also considered as soot precursors, but with the particularity that they would lead to smaller soot particles which would not be trapped by particulate filters, consequently affecting human health by damaging the cardiovascular system, weakening the immune system and impairing the function of lungs.Despite this concern, the fundamental principles of OPAHs chemistry are still not well understood, which explains why current combustion kinetic models do not incorporate an adequate mechanism of their formation and decomposition, and are rather oriented towards the formation of small OPAHs, such as benzofuran and dibenzofuran. However, according to the literature [3-4], authors have observed OPAHs with larger ring sizes (from 2 to 5 cycles) and involving chemical structures that include not only furans, but also fluorenones, aromatic ketones or quinones.Thus, the aim of our project is to propose sub-mechanisms were the reaction pathways of representative OPAHs are included, by using theoretical methods. The presentation will cover a first part where we have studied the reaction pathways of quinones. |
| Databáze: | OpenAIRE |
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