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Kinetic Modeling of the Thermal Destruction of Mustard Gas

Baptiste Sirjean , Juan Carlos Lizardo Huerta , Laurent Verdier , René Fournet , Pierre-Alexandre Glaude et al.
Proceedings of the Combustion Institute, 2017, 36, pp.499-506. ⟨10.1016/j.proci.2016.05.016⟩
Journal articles hal-01510219v1
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Extension of the composite CBS-QB3 method to singlet diradical calculations.

Baptiste Sirjean , René Fournet , Pierre-Alexandre Glaude , M.F. Ruiz-Lopez
Chemical Physics Letters, 2007, 435, pp.152-156
Journal articles hal-00140043v1
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Combustion and oxidation kinetics of alternative gas turbines fuels

Pierre-Alexandre Glaude , Baptiste Sirjean , René Fournet , Roda Bounaceur , Matthieu Vierling et al.
Proceedings of ASME, 2014, Paper No. GT2014-25070, pp. V03AT03A001; 10 p. ⟨10.1115/GT2014-25070⟩
Journal articles hal-01070016v1

Unimolecular decomposition of tetrahydrofuran: Carbene vs. diradical pathways

Marco Verdicchio , Baptiste Sirjean , Luc Sy Tran , Pierre-Alexandre Glaude , Frédérique Battin-Leclerc et al.
Proceedings of the Combustion Institute, 2015, 35 (1), pp.533-541. ⟨10.1016/j.proci.2014.08.015⟩
Journal articles hal-01270981v1

Unimolecular decomposition of 2,5-dimethylfuran: A theoretical chemical kinetic study

Baptiste Sirjean , René Fournet
Physical Chemistry Chemical Physics, 2013, 15 (2), pp.596-611. ⟨10.1039/c2cp41927k⟩
Journal articles hal-00866189v1
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Shock Tube and Chemical Kinetic Modeling Study of the Oxidation of 2,5-Dimethylfuran

Baptiste Sirjean , René Fournet , Pierre-Alexandre A Glaude , Frédérique Battin-Leclerc , Weijing Wang et al.
Journal of Physical Chemistry A, 2013, 117 (7), pp.1371-1392. ⟨10.1021/jp308901q⟩
Journal articles hal-01406845v1
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Thermal Decomposition of Phosgene and Diphosgene

Juan-Carlos Lizardo-Huerta , Baptiste Sirjean , Laurent Verdier , René Fournet , Pierre-Alexandre Glaude et al.
Journal of Physical Chemistry A, 2018, 122 (1), pp.249-257. ⟨10.1021/acs.jpca.7b09554⟩
Journal articles hal-01708227v1

Theoretical kinetic study of the reactions of cycloalkylperoxy radicals

Baptiste Sirjean , Pierre-Alexandre Glaude , M.F. Ruiz-Lopez , René Fournet
Journal of Physical Chemistry A, 2009, 113, pp.6924-6935
Journal articles hal-00442303v1
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Theoretical kinetic study of thermal unimolecular decomposition of cyclic alkyl radicals

Baptiste Sirjean , Pierre-Alexandre Glaude , M.F. Ruiz-Lopez , René Fournet
Journal of Physical Chemistry A, 2008, 112 (46), pp.11598-11610
Journal articles hal-00341975v1

Can we safely predict solvation Gibbs energies of pure and mixed solutes with a cubic equation of state?

Edouard Moine , Romain Privat , Jean-Noël Jaubert , Baptiste Sirjean , Nefeli Novak et al.
Pure and Applied Chemistry, 2019, 91 (8), ⟨10.1515/pac-2018-1112⟩
Journal articles hal-02136164v1
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An experimental and modeling study of the combustion of tetrahydrofuran

Luc-Sy Tran , Marco Verdicchio , Fabiola Monge , Roberto Colino Martin , Roda Bounaceur et al.
Combustion and Flame, 2015, 162 (5), pp.1899-1918. ⟨10.1016/j.combustflame.2014.12.010⟩
Journal articles hal-01169277v1

Auto-ignition control using an additive with adaptable chemical structure. Part I: Development of a kinetic model for 1,3-cyclohexadiene and 1,3,5-hexatriene combustion

Alessandro Schönborn , Minh Duy Le , René Fournet , Pierre-Alexandre Glaude , Valérie Warth et al.
Combustion and Flame, 2019, 205, pp.466-483. ⟨10.1016/j.combustflame.2019.04.020⟩
Journal articles hal-02136902v1

Thermal cracking of 1-n-butyldecalin at high pressure (100 bar)

Darwin Rakotoalimanana , Roda Bounaceur , Baptiste Sirjean , Françoise Béhar , Valérie Burklé-Vitzthum et al.
Journal of Analytical and Applied Pyrolysis, 2017, 123, pp.204-215. ⟨10.1016/j.jaap.2016.12.001⟩
Journal articles hal-02135989v1
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Étude cinétique de réactions de pyrolyse et de combustion d'hydrocarbures cycliques par les approches de chimie quantique

Baptiste Sirjean
Autre. Institut National Polytechnique de Lorraine, 2007. Français. ⟨NNT : 2007INPL093N⟩
Theses tel-01752830v1
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Theoretical study of the reaction 2,5-dimethylfuran + H → products

Baptiste Sirjean , René Fournet
Proceedings of the Combustion Institute, 2013, 34 (1), pp.241-249. ⟨10.1016/j.proci.2012.05.027⟩
Journal articles hal-00866180v1
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Auto-ignition control using an additive with adaptable chemical structure. Part II: Development of a PRF kinetic model including 1,3- cyclohexadiene mechanism and simulations of ignition control

Alessandro Schönborn , Minh Duy Le , René Fournet , Pierre-Alexandre Glaude , Valérie Warth et al.
Energy & Fuels, 2019, 33 (12), pp.12704-12713. ⟨10.1021/acs.energyfuels.9b02020⟩
Journal articles hal-02938824v1

Influence of substituted furans on the formation of Polycyclic Aromatic Hydrocarbons in flames

Luc Sy Tran , Baptiste Sirjean , Pierre-Alexandre Glaude , René Fournet , Frédérique Battin-Leclerc et al.
Proceedings of the Combustion Institute, 2015, 35 (2), pp.1735-1743. ⟨10.1016/j.proci.2014.06.137⟩
Journal articles hal-01270985v1
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Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes

Edouard Moine , Romain Privat , Baptiste Sirjean , Jean-Noël Jaubert
Journal of Physical and Chemical Reference Data, 2017, 46, pp.033102. ⟨10.1063/1.5000910⟩
Journal articles hal-01703358v1
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Thermal decomposition of norbornane (bicyclo[2.2.1]heptane) dissolved in benzene. Experimental study and mechanism investigation.

Olivier Herbinet , Baptiste Sirjean , Frédérique Battin-Leclerc , René Fournet , Paul-Marie Marquaire et al.
Energy & Fuels, 2007, 21, pp.1406-1414
Journal articles hal-00140025v1
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Primary reactions of the thermal decomposition of tricyclodecane.

Olivier Herbinet , Baptiste Sirjean , Roda Bounaceur , René Fournet , Frédérique Battin-Leclerc et al.
Journal of Physical Chemistry A, 2006, 110 (39), pp.11298-11314. ⟨10.1021/jp0623802⟩
Journal articles hal-00139755v1

Application of the Corresponding-State Law to the Parametrization of Statistical Associating Fluid Theory (SAFT)-Type Models: Generation and Use of “Generalized Charts”

Romain Privat , Edouard Moine , Baptiste Sirjean , Rafiqul Gani , Jean-Noël Jaubert et al.
Industrial and engineering chemistry research, 2019, 58 (21), pp.9127-9139. ⟨10.1021/acs.iecr.8b06083⟩
Journal articles hal-02136165v1
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Fast pyrolysis of hemicelluloses into short-chain acids: An investigation on concerted mechanisms

Marion Carrier , René Fournet , Baptiste Sirjean , Samuel Amsbury , Yoselin Benitez-Alfonso et al.
Energy & Fuels, 2020, 34 (11), pp.14232-14248. ⟨10.1021/acs.energyfuels.0c02901⟩
Journal articles hal-02952179v1
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Detailed kinetic study of the ring opening of cycloalkanes by CBS-QB3 calculations.

Baptiste Sirjean , Pierre-Alexandre Glaude , M.F. Ruiz-Lopez , René Fournet
Journal of Physical Chemistry A, 2006, 110 (46), pp.12693-12704
Journal articles hal-00140136v1
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Kinetic Modeling of the Thermal Destruction of Nitrogen Mustard Gas

Juan-Carlos Lizardo-Huerta , Baptiste Sirjean , Laurent Verdier , René Fournet , Pierre-Alexandre Glaude et al.
Journal of Physical Chemistry A, 2017, 121 (17), pp.3254-3262. ⟨10.1021/acs.jpca.7b01238⟩
Journal articles hal-01708219v1
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Towards cleaner combustion engines through groundbreaking detailed chemical kinetic models

Frédérique Battin-Leclerc , Edward Blurock , Roda Bounaceur , René Fournet , Pierre Alexandre Glaude et al.
Chemical Society Reviews, 2011, ⟨10.1039/C0CS00207K⟩
Journal articles hal-00602695v1
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Theoretical Study of the Thermal Decomposition of a Jet Fuel Surrogate

Baptiste Sirjean , Olivier Herbinet , Pierre-Alexandre Glaude , M.F. Ruiz-Lopez , René Fournet et al.
Spring 2008 Meeting, Western States Section/The Combustion Institute, Mar 2008, Los Angeles, United States. CD Rom du congrès, 19 p., Paper #08-S11
Conference papers hal-00377675v1
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Study of the Low Temperature Oxidation of Propane

Maximilien Cord , Benoit Husson , Juan Carlos Lizardo Huerta , Olivier Herbinet , Pierre-Alexandre Glaude et al.
Journal of Physical Chemistry A, 2012, 116, pp.12214-12228. ⟨10.1021/jp309821z⟩
Journal articles hal-00771603v1
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Oxidation of methyl and ethyl butanoates

Mohammed Hichem Hakka , Hayet Bennadji , Joffrey Biet , Mohammed Yahyaoui , Baptiste Sirjean et al.
International Journal of Chemical Kinetics, 2010, 42 (4), pp.226-252. ⟨10.1002/kin.20473⟩
Journal articles istex hal-00799677v1

Combustion chemistry and flame structure of furan,group biofuels using molecular-beam mass spectrometry and gas chromatography - Part I: Furan

Dong Liu , Casimir Togbé , Luc-Sy Tran , Daniel Felsmann , Patrick Osswald et al.
Combustion and Flame, 2014, 161 (3), pp.748-765. ⟨10.1016/j.combustflame.2013.05.028⟩
Journal articles hal-01275923v1

Combustion chemistry and flame structure of furan group biofuels using molecular-beam mass spectrometry and gas chromatography - Part III: 2,5-Dimethylfuran

Casimir Togbé , Luc-Sy Tran , Dong Liu , Daniel Felsmann , Patrick Osswald et al.
Combustion and Flame, 2014, 161 (3), pp.780-797. ⟨10.1016/j.combustflame.2013.05.026⟩
Journal articles hal-01275924v1