Impact of Biofuels on the Oxidation Stability and Combustion Pollutants of Heavy Duty and Jet Fuels

Informations projet

BioSCoPe

N° de convention de subvention: 101003318

DOI

10.3030/101003318

Date de signature de la CE 20 Janvier 2021

Date de début 1 Septembre 2021

Date de fin 31 Août 2026

Financé au titre de

• EXCELLENT SCIENCE - European Research Council (ERC)

Coût total

€ 1 996 856,00

Contribution de l’UE

€ 1 996 856,00

Coordonné par

CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE CNRS
France

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Les liens vers les livrables et les publications des projets du 7e PC, ainsi que les liens vers certains types de résultats spécifiques tels que les jeux de données et les logiciels, sont récupérés dynamiquement sur OpenAIRE .

Publications

Peer reviewed articles (17)

Quantification of hydroperoxides in liquid fuels: A systematic comparison of titration and absorption methods and their coupling to HPLC

Auteurs: Ryma Benrabah; Zaki El Sayah; Pierre-Alexandre Glaude; Philippe Arnoux; René Fournet; Baptiste Sirjean
Publié dans: Fuel, 2024, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.fuel.2024.131218

On the prediction of pressure effects for the combination kinetics of two alkyl radicals with the geometric mean rule

Auteurs: Fabiola Citrangolo Destro, René Fournet, Baptiste Sirjean, Stephen J. Klippenstein
Publié dans: Proceedings of the Combustion Institute, Numéro 40, 2024, Page(s) 105380, ISSN 1540-7489
Éditeur: Combustion Institute
DOI: 10.1016/j.proci.2024.105380

A comparative study of COSMO-based and equation-of-state approaches for the prediction of solvation energies based on the compsol databank

Auteurs: Francisco Carlos Paes, Romain Privat, Jean-Noël Jaubert, Baptiste Sirjean
Publié dans: Fluid Phase Equilibria, 2022, ISSN 0378-3812
Éditeur: Elsevier BV
DOI: 10.1016/j.fluid.2022.113540

Automatization of theoretical kinetic data generation for tabulated TS models building - Part III: C-H and C-C β-scissions in alkyl radicals

Auteurs: F.C. Destro, R. Fournet, G.B. De Souza, T. Fages, R. Bounaceur, P.A. Glaude, B. Sirjean
Publié dans: Combustion and Flame, Numéro 281, 2026, Page(s) 114445, ISSN 0010-2180
Éditeur: Elsevier BV
DOI: 10.1016/j.combustflame.2025.114445

Prediction of solvation energies at infinite dilution by the tc-PR cubic equation of state with advanced mixing rule based on COSMO-RS as gE model

Auteurs: Francisco Carlos Paes; Romain Privat; Jean-Noël Jaubert; Baptiste Sirjean
Publié dans: Journal of Molecular Liquids, 2023, ISSN 0167-7322
Éditeur: Elsevier BV
DOI: 10.1016/j.molliq.2023.122480

Integrating Solvent Effects into the Prediction of Kinetic Constants Using a COSMO-Based Equation of State

Auteurs: Francisco Paes, Gabriel de Souza Batalha, Fabiola Citrangolo Destro, René Fournet, Romain Privat, Jean-Noël Jaubert, Baptiste Sirjean
Publié dans: Journal of Chemical Theory and Computation, Numéro 21, 2026, Page(s) 3625-3648, ISSN 1549-9618
Éditeur: American Chemical Society
DOI: 10.1021/acs.jctc.5c00133

Hydrodynamics of a gas–liquid microreactor designed for the oxidation kinetics of organic compounds

Auteurs: Ryma Benrabah, Emilien Girot, Jean-Marc Commenge, René Fournet, Philippe Arnoux, Pierre-Alexandre Glaude, Baptiste Sirjean
Publié dans: Chemical Engineering Science, Numéro 320, 2025, Page(s) 122334, ISSN 0009-2509
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.ces.2025.122334

An Experimental and Detailed Kinetic Modeling of the Thermal Oxidation Stability of n-decane as a Jet Fuel Surrogate Component

Auteurs: Minh Duy Le, Zaki El Sayah, Ryma Benrabah, Valérie Warth, Pierre-Alexandre Glaude, Romain Privat, René Fournet, Baptiste Sirjean
Publié dans: Fuel, 2023, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.fuel.2023.127754

Experimental study of the impact of alcohols on the oxidation stability of a surrogate jet-fuel

Auteurs: Ryma Benrabah; Zaki El Sayah; Minh Duy Le; Yvonne Anak Derrick Warren; Pierre-Alexandre Glaude; René Fournet; Baptiste Sirjean
Publié dans: Fuel, 2024, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.fuel.2023.130750

Oxidative stability of hydrocarbons produced by pyrolysis of polypropylene

Auteurs: Nabil Hassibi; Ryma Benrabah; Yireth Andrea Vega-Bustos; Baptiste Sirjean; Pierre-Alexandre Glaude; Guillain Mauviel; Valérie Burklé-Vitzthum
Publié dans: Fuel, 2024, Page(s) 130121, ISSN 0016-2361
Éditeur: Elsevier BV
DOI: 10.1016/j.fuel.2023.130121

Predicting solvation energies of free radicals and their mixtures: A robust approach coupling the Peng-Robinson and COSMO-RS models

Auteurs: Francisco Paes; Romain Privat; Jean-Noël Jaubert; Baptiste Sirjean
Publié dans: Journal of Molecular Liquids, 2024, Page(s) 124641, ISSN 0167-7322
Éditeur: Elsevier BV
DOI: 10.1016/j.molliq.2024.124641

Automatization of theoretical kinetic data generation for tabulated TS models building - Part 1: Application to 1,3-H-shift reactions

Auteurs: F.C. Destro, R. Fournet, R. Bounaceur, V. Warth, P.A. Glaude, B. Sirjean
Publié dans: Combustion and Flame, Numéro 270, 2024, Page(s) 113731, ISSN 0010-2180
Éditeur: Elsevier BV
DOI: 10.1016/j.combustflame.2024.113731

A Microfluidic Reactor to Study the Oxidation Stability of Fuels: Application to a Sustainable Aviation Fuel Surrogate

Auteurs: Ryma Benrabah, Kanika Sood, Pierre-Alexandre Glaude, Emilien Girot, Philippe Arnoux, Jean-Marc Commenge, René Fournet, Baptiste Sirjean
Publié dans: Energy & Fuels, Numéro 39, 2025, Page(s) 21625-21634, ISSN 0887-0624
Éditeur: American Chemical Society
DOI: 10.1021/acs.energyfuels.5c02737

Automatization of theoretical kinetic data generation for tabulated TS models building - Part II: 1,2 to 1,5-H-shift reactions in alkyl radicals

Auteurs: F.C. Destro, R. Fournet, R. Bounaceur, V. Warth, P.A. Glaude, B. Sirjean
Publié dans: Combustion and Flame, 2024, Page(s) 113732, ISSN 0010-2180
Éditeur: Elsevier BV
DOI: 10.1016/j.combustflame.2024.113732

Quantification and Identification of Hydroperoxides in Oxidized Surrogate Fuels by HPLC-PcR

Auteurs: Ryma Benrabah, Kanika Sood, Boris Roux, Philippe Arnoux, René Fournet, Pierre-Alexandre Glaude, Baptiste Sirjean
Publié dans: Energy & Fuels, Numéro 39, 2025, Page(s) 18718-18731, ISSN 0887-0624
Éditeur: American Chemical Society
DOI: 10.1021/acs.energyfuels.5c03326

Impact of the size and degree of branching of alkanes on the rate rules approach: the case of isomerizations

Auteurs: Fabiola Citrangolo Destro, René Fournet, Valérie Warth, Pierre-Alexandre, Baptiste Sirjean
Publié dans: Proceedings of the Combustion Institute, 2022, ISSN 1540-7489
Éditeur: Combustion Institute
DOI: 10.1016/j.proci.2022.07.170

Using COSMO-SAC models in the mixing rules of the translated-consistent Peng-Robinson equation-of-state: a rigorous benchmarking across a broad and diverse database

Auteurs: Francisco Paes, Baptiste Sirjean, Jean-Noël Jaubert, Romain Privat
Publié dans: Chemical Engineering Science, Numéro 324, 2026, Page(s) 123300, ISSN 0009-2509
Éditeur: Pergamon Press Ltd.
DOI: 10.1016/j.ces.2026.123300

Conference proceedings (7)

Experimental study of the impact of bioalcohol stucture on the oxidation stability of a surrogate jet-fuel

Auteurs: Zaki El Sayah; Ryma Benrabah; Minh Duy Le; Pierre-Alexandre Glaude; Baptiste Sirjean
Publié dans: Proceedings of the 17th International Symposium on Stability, Handling and Use of Liquid Fuels, 2022
Éditeur: International Association for Stability, Handling, and Use of Liquid Fuels, Inc. (IASH)

Experimental study of hydroperoxide content in surrogate jet fuels using HPLC

Auteurs: Ryma Benrabah, Kanika Sood, Philippe Arnoux, René Fournet, Pierre-Alexandre Glaude, Baptiste Sirjean
Publié dans: Proceedings of the 18th International Symposium on Stability, Handling and Use of Liquid Fuels, Numéro 8-12 September 2024, 2024
Éditeur: International Association for Stability, Handling and Use of Liquid Fuels (IASH)

Kinetic Modeling of the Impact of n-Decane Aging on its Combustion Characteristics

Auteurs: R. Benrabah; M.D. Le; T. Fages; R. Veillet; R. Fournet; P.A. Glaude; B. Sirjean
Publié dans: Proceedings of the European Combustion Meeting, 2023
Éditeur: French Section of the Combustion Institute

Determination of hydroperoxides in liquid fuels: a systematic comparison of titrations and absorption methods and their innovative coupling to hplc

Auteurs: Ryma Benrabah, Zaki El Sayah, Pierre-Alexandre Glaude, Philippe Arnoux, Baptiste Sirjean
Publié dans: Proceedings of the 17th International Symposium on Stability, Handling and Use of Liquid Fuels, 2022
Éditeur: International Association for Stability, Handling, and Use of Liquid Fuels, Inc. (IASH)

Automatization of theoretical kinetic data generation for tabulated TS models building

Auteurs: F.C. Destro; R. Fournet; V. Warth; P.A. Glaude; B. Sirjean
Publié dans: Proceedings of the European Combustion Meeting, 2023
Éditeur: French section of the Combustion Institute

An innovative microfluidic reactor for testing the oxidation stability of fuels: application to a SAF surrogate and comparison with the PetroOxy test

Auteurs: Ryma Benrabah, Emilien Girot, Philippe Arnoux, Jean-Marc Commenge, René Fournet, Pierre-Alexandre Glaude, Baptiste Sirjean
Publié dans: Proceedings of the 18th International Symposium on Stability, Handling and Use of Liquid Fuels, Numéro 8-12 September 2024, 2024
Éditeur: International Association for Stability, Handling and Use of Liquid Fuels (IASH)

A new model to predict thermodynamic properties of molecules and free-radicals; new horizons for the modelling of liquid oxidation and supercritical combustion

Auteurs: F.C. Paes; R. Privat; J.N. Jaubert; B. Sirjean
Publié dans: Proceedings of the European Combustion Meeting, 2023
Éditeur: French Section of the Combustion Institure