Publications

Experimental and kinetic modeling study of 3-methylheptane in a jet stirred reactor. F. Karsenty, S.M. Sarathy, C. Togbé, C.K. Westbrook, G. Dayma, P. Dagaut, M. Mehl, W.J. Pitz.Energy & Fuels, 26(8) 4680–4689 (2012). http://dx.doi.org/10.1021/ef300852w

Experimental and detailed kinetic modeling study of ethyl pentanoate (ethyl valerate) oxidation in a JSR and laminar burning velocities in a spherical combustion chamber. G. Dayma, F. Halter, F. Foucher, C. Togbé, C. Mounaim-Rousselle, P. Dagaut. Energy & Fuels, 26(8) 4735–4748 (2012). http://dx.doi.org/10.1021/ef300581q

Laminar burning velocities of C4 to C7 ethyl esters in a spherical combustion chamber: Experiment and detailed kinetic modeling. G. Dayma, F. Halter, F. Foucher, C. Mounaim-Rousselle, P. Dagaut. Energy & Fuels, 26(11) 6669−6677 (2012). http://dx.doi.org/10.1021/ef301254q

Experimental and semi-detailed kinetic modeling study of decalin oxidation and pyrolysis over a wide range of conditions. P. Dagaut, A. Ristori, A. Frassoldati, T. Faravelli, G. Dayma, E. Ranzi. Proc. Combust. Inst. 34 (1) 289–296 (2013). http://dx.doi.org/10.1016/j.proci.2012.05.099

Jet-stirred reactor and flame studies of propanal oxidation. P.S. Veloo, P. Dagaut, C. Togbe, G. Dayma, S.M. Sarathy, C.K. Westbrook, F.N. Egolfopoulos. Proc. Combust. Inst. 34 (1) 599–606 (2013). http://dx.doi.org/10.1016/j.proci.2012.06.138

Influence of ozone on the combustion of n-heptane in a HCCI Engine. F. Foucher, P. Higelin, C. Mounaim-Rousselle, P. Dagaut. Proc. Combust. Inst. 34 (2) 3005–3012 (2013). http://dx.doi.org/10.1016/j.proci.2012.05.042

Experimental Study of Tetralin Oxidation and Kinetic Modeling of its Pyrolysis and Oxidation. P. Dagaut, A. Ristori, A. Frassoldati, T. Faravelli, G. Dayma, E. Ranzi. Energy & Fuels 27(3) 1576–1585 (2013) http://dx.doi.org/10.1021/ef4001456

Experimental and numerical analysis of nitric oxide effect on the ignition of iso-octane in a single cylinder HCCI engine. F. Contino, F. Foucher, P. Dagaut, T. Lucchini, G. D’Errico, C. Mounaım-Rousselle. Combust. Flame 160(8) 1476–1483 (2013). http://dx.doi.org/10.1016/j.combustflame.2013.02.028

Experimental and Modeling Study of the Oxidation of n- and iso-Butanal. P.S. Veloo, P. Dagaut, C. Togbe, G. Dayma, S.M. Sarathy, C.K. Westbrook, F.N. Egolfopoulos. Combust. Flame 160(9) 1609–1626 (2013) http://dx.doi.org/10.1016/j.combustflame.2013.03.018

A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation. K.P. Somers, J.M. Simmie, F. Gillespie, C. Conroy, G. Black, W.K. Metcalfe, F. Battin-Leclerc, P. Dirrenberger, O. Herbinet, P.-A. Glaude, P. Dagaut, C. Togbé, K. Yasunaga, R.X. Fernandes, C. Lee, R. Tripathi, H.J. Curran. Combust. Flame 160(11) 2291–2318 (2013) http://dx.doi.org/10.1016/j.combustflame.2013.06.007

Homogeneous Charge Compression Ignition Combustion of Primary Reference Fuels Influenced by Ozone Addition. J-B. Masurier, F. Foucher, G. Dayma, P. Dagaut. Energy & Fuels 27(9) 5495–5505 (2013). http://dx.doi.org/10.1021/ef401009x

A comprehensive experimental and modeling study of iso-pentanol combustion. B.W Weber, W. Wang, P.S. Veloo, A.C. Davis; C. Togbe, C.K. Westbrook, O. Park, G. Dayma, Z. Lao, M.A. Oehlschlaeger, F.N. Egolfopoulos, T. Lu, W.J. Pitz, C.-J. Sung, P. Dagaut. Combust. Flame 160(12) 2712–2728 (2013), http://dx.doi.org/10.1016/j.combustflame.2013.06.022

Mineral Oxides Change the Atmospheric Reactivity of Soot: A Kinetic and Product Study under Dark and UV Light Irradiation. M.N. Romanias, Y. Bedjanian, A. Zaras, A. Andrade-Eiroa, R. Shahla, P. Dagaut, A Philippidis. J. Phys. Chem. A 117 (48) 12897–12911 (2013). http://dx.doi.org/10.1021/jp407914f

Experimental and kinetic modeling study of trans-methyl 3-hexenoate oxidation in JSR and the role of C=C double bond. K. Zhang, C. Togbé, G. Dayma, P. Dagaut. Combust. Flame 161(3) 818–825 (2014). http://dx.doi.org/10.1016/j.combustflame.2013.10.022

Experimental and Detailed Kinetic Model for the Oxidation of a Gas to Liquid Jet Fuel. P. Dagaut, F. Karsenty, G. Dayma, P. Diévart, K. Hadj-Ali, A. Mzé-Ahmed, Th. Kick, J. Herbst, T. Kathrotia, M. Braun-Unkhoff, J. Herzler, C. Naumann, U. Riedel.  Combust. Flame 161(3) 835–847 (2014). http://dx.doi.org/10.1016/j.combustflame.2013.08.015

Incipient chemical kinetics of excited-state species during n-nonane oxidation in oxygen/argon. B. Rotavera, P. Dagaut, and E. L. Petersen. Combust. Flame 161(5) 1146–1163 (2014). http://dx.doi.org/10.1016/j.combustflame.2013.11.008

A comprehensive combustion chemistry study of 2,5-dimethylhexane. S. M. Sarathy, T. Javed, F. Karsenty, A. Heufer, W. Wang, S. Park, A. Elwardany, A. Farooq, C.K. Westbrook, W.J. Pitz, M.A. Oehlschlaeger, G. Dayma, H.J. Curran, P. Dagaut. Combust. Flame 161(6) 1444–1459 (2014). http://dx.doi.org/10.1016/j.combustflame.2013.12.010

Experimental Study of the Oxidation of n-Tetradecane in a JSR and Detailed Chemical Kinetic Modeling. A. Mzé-Ahmed, P. Dagaut, G. Dayma, P. Diévart, K. Hadj-Ali. Combust Sci. Technol. 186(4-5) 594–606 (2014). http://dx.doi.org/10.1080/00102202.2014.883256

Experimental investigation of Valeric biofuels in a compression ignition engine. F. Contino, F. Foucher, F. Halter, C. Mounaïm-Rousselle, G. Dayma, P. Dagaut. Journal of Energy Engineering 140(3), A4014013 (2014). http://dx.doi.org/10.1061/(ASCE)EY.1943-7897.0000161

New insights into the peculiar behavior of laminar burning velocities of hydrogen-air flames according to pressure and equivalence ratio. G. Dayma, F. Halter, P. Dagaut. Combt. Flame 161(9) 2235–2241 (2014). http://dx.doi.org/10.1016/j.combustflame.2014.02.009

An alternative to trial-error methodology in solid phase extraction: an original automated solid phase extraction procedure for analysing PAHs and PAHs-derivatives in soot. A. Andrade-Eiroa, R. Shahla, M.N. Romanías, P. Dagaut. RSC Adv. 4 (63), 33636–33644 (2014). http://dx.doi.org/10.1039/c4ra03214d

Combustion of a Gas-to-Liquid-Based Alternative Jet Fuel: Experimental and Detailed Kinetic Modeling. P. Dagaut, G. Dayma, P. Diévart, K. Hadj-Ali, A. Mzé-Ahmed. Combust Sci. Technol. 186 (10-11) 1275–1283 (2014). http://dx.doi.org/10.1080/00102202.2014.934564

Photodegradation of pyrene on Al2O3 surfaces. A kinetic and product study under simulated atmospheric conditions. M.N. Romanias, A. Andrade-Eiroa, R. Shahla, Y. Bedjanian, A.G. Zogka, A. Philippidis, P. Dagaut. J. Phys. Chem. A 118 (34), 7007–7016 (2014). http://dx.doi.org/10.1021/jp504725z

Effectiveness of the TDAC method to model iso-octane combustion for a large range of ozone seeding and temperature conditions in a single cylinder HCCI engine. F.Contino, J.-B. Masurier, F. Foucher, T. Lucchini, G. d’Errico, P. Dagaut. Fuel 137, 179–184 (2014) http://dx.doi.org/10.1016/j.fuel.2014.07.084

An experimental and modeling study of 2-methyl-butanol oxidation in a jet-stirred reactor. Z. Serinyel, C. Togbé, G. Dayma,, P. Dagaut. Combust. Flame 161(12) 3003–3013 (2014). http://dx.doi.org/10.1016/j.combustflame.2014.06.004

Quantitative Measurements of HO2 and Other Products of n-Butane Oxidation (H2O2, H2O, CH2O, and C2H4) at Elevated Temperatures by Direct Coupling of a Jet-Stirred Reactor with Sampling Nozzle and Cavity Ring-Down Spectroscopy (cw-CRDS). M. Djehiche, N.L. Le Tan, C. Jain, G. Dayma, P. Dagaut, C. Chauveau, L. Pillier, A. Tomas. J. Am. Chem. Soc. 136 (47), 16689–16694 (2014). http://dx.doi.org/10.1021/ja510719k

Kinetics of Oxidation of a 100% Gas-to-Liquid Synthetic Jet Fuel and a Mixture GTL/1-Hexanol in a Jet-Stirred Reactor: Experimental and Modeling Study. A. Mzé-Ahmed, P. Dagaut, G. Dayma, P. Diévart. Paper No. GT2014-25077, pp. V03AT03A002; 9 pages, http://dx.doi.org/10.1115/GT2014-25077. In :ASME Turbo Expo 2014: Turbine Technical Conference and Exposition, Volume 3A: Coal, Biomass and Alternative Fuels; Cycle Innovations; Electric Power; Industrial and Cogeneration, Düsseldorf, Germany, June 16–20, 2014, ISBN: 978-0-7918-4565-3

The Combustion of Synthetic Jet Fuels (Gas to Liquid and Coal to Liquid) and Multi-Component Surrogates: Experimental and Modeling Study. P. Dagaut, G. Dayma, F. Karsenty, Z. Serinyel. Paper No. GT2015-42004, pp. V003T03A001; 9 pages http://dx.doi.org/10.1115/GT2015-42004. In ASME Turbo Expo 2015: Turbine Technical Conference and Exposition, Volume 3: Coal, Biomass and Alternative Fuels; Cycle Innovations; Electric Power; Industrial and Cogeneration, Montreal, Quebec, Canada, June 15–19, 2015, ISBN: 978-0-7918-5667-3

Kinetics of oxidation of a 100% gas-to-liquid synthetic jet fuel and a mixture GtL/1-hexanol in a jet-stirred reactor: experimental and modeling study. A. Mzé-Ahmed, P. Dagaut, G. Dayma, P. Diévart. J. Eng. Gas Turbines and Power 137(1) 011503 (2015) Paper No. GTP-14-1346 (Aug 26, 2014). http://dx.doi.org/10.1115/1.4028259

Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. I. Flow reactor pyrolysis and jet stirred reactor oxidation. W.Yuan, Y. Li, P. Dagaut, J. Yang, F. Qi. Combust. Flame 162(1) 3–21 (2015). http://dx.doi.org/10.1016/j.combustflame.2014.07.009

Investigation on the pyrolysis and oxidation of toluene over a wide range conditions. II. A comprehensive kinetic modeling study. W.Yuan, Y. Li, P. Dagaut, J. Yang, F. Qi. Combust. Flame 162(1) 22–40 (2015). http://dx.doi.org/10.1016/j.combustflame.2014.07.011

Experimental and kinetic modeling study of trans-2-butene oxidation in a jet-stirred reactor and a combustion bomb. Y. Fénard, P. Dagaut, G. Dayma, F. Halter, F. Foucher. Proc. Combust. Inst. 35 (1) 317–324 (2015). http://dx.doi.org/10.1016/j.proci.2014.05.007

An experimental and modeling study of n-octanol combustion. L. Cai, Y. Uygun, C. Togbé, H. Pitsch, H. Olivier, P. Dagaut, S.M. Sarathy. Proc. Combust. Inst. 35 (1) 419–427 (2015). http://dx.doi.org/10.1016/j.proci.2014.05.088

Kinetics of Oxidation of Cyclohexanone in a Jet-Stirred Reactor: Experimental and Modeling. Z. Serinyel, C. Togbé, A. Zaras, G. Dayma, P. Dagaut. Proc. Combust. Inst. 35 (1) 507–514 (2015). http://dx.doi.org/10.1016/j.proci.2014.06.150

Investigation of Iso-octane Combustion in a Homogeneous Charge Compression Ignition Engine Seeded by Ozone, Nitric Oxide and Nitrogen Dioxide. J.B. Masurier, F. Foucher, G. Dayma, P. Dagaut . Proc. Combust. Inst. 35 (3) 3125–3132 (2015). http://dx.doi.org/10.1016/j.proci.2014.05.060

Experimental and modeling study of the oxidation of 1-butene and cis-2-butene in a jet-stirred reactor and a combustion vessel. Y. Fenard, G. Dayma, F. Halter, F. Foucher, Z. Serinyel, P. Dagaut. Energy & Fuels 29(2) 1107–1118 (2015). http://dx.doi.org/10.1021/ef502732c

An experimental and modeling study of diethyl carbonate oxidation. H. Nakamura, H. Curran, A. D. Polo Córdoba, W. J. Pitz, P. Dagaut, C. Togbé, S. M. Sarathy, M. Mehl, J. Agudelo, F. Bustamante. Combust. Flame 162 (4), 1395–1405 (2015). http://dx.doi.org/10.1016/j.combustflame.2014.11.002

Investigation of the photochemical reactivity of soot particles derived from biofuels towards NO2. A kinetic and product study. M.N. Romanías, P. Dagaut, Y. Bedjanian, A. Andrade-Eiroa, R. Shahla, K.S. Emmanouil, V.C. Papadimitriou, S. Apostolos. J. Phys. Chem. A 119(10) 2006–2015 (2015). http://dx.doi.org/10.1021/jp511468t

Experimental and kinetic modeling study of styrene combustion. W. Yuan, Y. Li, P. Dagaut, J. Yang, F. Qi. Combust. Flame 162 (5), 1868–1883 (2015). http://dx.doi.org/10.1016/j.combustflame.2014.12.008

Computational Kinetic Study for the Unimolecular Decomposition of Cyclopentanone. A.M. Zaras, S. Thion, P. Dagaut. Int. J. Chem. Kinet. 47(7), 439–446 (2015). http://dx.doi.org/10.1002/kin.20921

Quantification of HO2 and other products of dimethyl ether oxidation (H2O2, H2O, and CH2O) in a jet-stirred reactor at elevated temperatures by low-pressure sampling and continuous-wave cavity ring-down spectroscopy. N.L. Le Tan, M. Djehiche, C.D. Jain, P. Dagaut, G. Dayma. Fuel 158 (1) 248–252 (2015). http://dx.doi.org/10.1016/j.fuel.2015.05.042

Computational kinetic study for the unimolecular decomposition pathways of cyclohexanone. A. M. Zaras, P. Dagaut, Z. Serinyel. J. Phys. Chem. A 119(28) 7138–7144 (2015).     http://dx.doi.org/10.1021/jp506227w

In-situ Detection and Identification of the Keto-Hydroperoxide (HOOCH2OCHO) and other Intermediates during Low-Temperature Oxidation of Dimethyl Ether. K. Moshammer, A.W. Jasper, D.M. Popolan-Vaida, A. Lucassen, P. Dievart, H. Selim, A.J. Eskola, C.A. Taatjes, S.R. Leone, S.M. Sarathy, Y. Ju, P. Dagaut, K. Kohse-Höinghaus, N. Hansen. J. Phys. Chem. A 119(28) 7361–7374 (2015).   http://dx.doi.org/10.1021/acs.jpca.5b00101

Theoretical Kinetic Study for Methyl levulinate: Oxidation by OH and CH3 radicals and further unimolecular decomposition pathways. S. Thion, A. M. Zaras, M. Szőric, P. Dagaut. Phys. Chem. Chem. Phys. 17(36) 23384-23391 (2015).   http://dx.doi.org/10.1039/c5cp04194e

Identification and Quantification of Aromatic Hydrocarbons Adsorbed on Soot from Premixed Flames of Kerosene, Synthetic Kerosene, and Kerosene-Synthetic Biofuels. A. Andrade-Eiroa, R. Shahla, M.N. Romanías, P. Dagaut, K.S. Emmanouil, S. Apostolos and G. Dayma. Energy & Fuels 29(10) 6556–6564 (2015). http://dx.doi.org/10.1021/acs.energyfuels.5b00962

Ozone Applied to the Homogeneous Charge Compression Ignition Engine to Control Alcohol Fuels Combustion. J.B. Masurier, F. Foucher, G. Dayma, P. Dagaut. Applied Energy 160, 566–580 (2015).   http://dx.doi.org/10.1016/j.apenergy.2015.08.004

An experimental and kinetic modeling study of n-hexane oxidation. K. Zhang, C. Banyon, C. Togbé, P. Dagaut, J. Bugler, H.J. Curran. Combust. Flame 162 (11) 4194–4207 (2015).   http://dx.doi.org/10.1016/j.combustflame.2015.08.001

Additional chain-branching pathways in the low-temperature oxidation of branched alkanes. Z. Wang, L. Zhang, K. Moshammer, D. M. Popolan-Vaida, V.S. Bhavani Shankar, A. Lucassen, C. Hemken, C.A. Taatjes, S.R. Leone, K. Kohse-Höinghaus, N. Hansen, P. Dagaut, S. M. Sarathy. Combust. Flame 164 (1) 386–396 (2016). http://dx.doi.org/10.1016/j.combustflame.2015.11.035

Combustion in micro-channels with a controlled temperature gradient. A. Di Stazio, C. Chauveau, G. Dayma, P. Dagaut. Exp. Therm. Fluid Sci. 73 (1) 79–86 (2016). http://dx.doi.org/10.1016/j.expthermflusci.2015.09.020

A comprehensive experimental and kinetic modeling study of ethylbenzene combustion. W. Yuan , Y. Li, G. Pengloan, C. Togbé, P. Dagaut, F. Qi. Combust. Flame 166 (1) 255–265 (2016).   http://dx.doi.org/10.1016/j.combustflame.2016.01.026

Oscillating flames in micro-combustion. A. Di Stazio, C. Chauveau, G. Dayma and P. Dagaut. Combust. Flame 167 (1) 392–394 (2016).   http://dx.doi.org/10.1016/j.combustflame.2016.01.013

Experimental and Kinetic Modeling of the Oxidation of Synthetic Jet Fuels and Surrogates. P. Dagaut, F. Karsenty, G. Dayma, Z. Serinyel. Combust. Sci. Technol. 188(11) 1–14 (2016). http://dx.doi.org/10.1080/00102202.2016.1212543

Quantification of the Keto-Hydroperoxide (HOOCH2OCHO) and Other Elusive Intermediates During Low-Temperature Oxidation of Dimethyl Ether. K. Moshammer, A. Jasper, D. Popolan-Vaida, Z. Wang, S. Bhavani, S. Vijai, L. Ruwe, C. Taatjes, P. Dagaut, N. Hansen. J. Phys. Chem. A 120(40) 7890–7901(2016). http://dx.doi.org/10.1021/acs.jpca.6b06634

Screening method for fuels in homogeneous charge compression ignition engines: application to valeric biofuels. F. Contino, P. Dagaut, F. Halter, J.-B. Masurier, G. Dayma, C. Mounaim-Rousselle, F. Foucher. Energy & Fuels 31(1) 607–614 (2017). http://dx.doi.org/10.1021/acs.energyfuels.6b02300

Jet-stirred reactor oxidation and kinetic modeling study of two alkane-rich FACE fuels. B. Chen, C. Togbé, Z. Wang, P. Dagaut, S.M. Sarathy. Proc. Combust. Inst. 36, 517–524 (2017) http://dx.doi.org/10.1016/j.proci.2016.05.040

Elucidating reactivity regimes in cyclopentane oxidation: jet stirred reactor experiments, computational chemistry, and kinetic modeling. M. J. Al Rashidi, S. Thion, C. Togbé, G. Dayma, M. Mehl, P. Dagaut, W. J. Pitzc, J. Zádor, S. M. Sarathy. Proc. Combust. Inst. 36, 469–477 (2017) http://dx.doi.org/10.1016/j.proci.2016.05.036

An experimental study in a jet-stirred reactor and a comprehensive kinetic mechanism for the oxidation of Methyl Ethyl Ketone. S. Thion, P. Diévart, P. Van Cauwenberghe, G. Dayma, Z. Serinyel, P. Dagaut. Proc. Combust. Inst. 36, 459–467 (2017). http://dx.doi.org/10.1016/j.proci.2016.05.022

Combustion of Synthetic Jet Fuels: Naphtenic Cut and Blend with a Gas-to-Liquid (GtL) Jet Fuel. P. Dagaut, P. Diévart. Proc. Combust. Inst. 36, 433–440 (2017) http://dx.doi.org/10.1016/j.proci.2016.05.045

An Experimental and Modelling Study of n-Pentane Oxidation in Two Jet-Stirred Reactors. J. Bugler, A. Rodriguez, O. Herbinet, F. Battin-Leclerc, P. Dagaut, H. J. Curran. Proc. Combust. Inst. 36, 441–448 (2017) http://dx.doi.org/10.1016/j.proci.2016.05.048

Burning velocities and jet-stirred reactor oxidation of diethyl carbonate. R. Shahla, C. Togbé, S. Thion, R. Timothée, M. Lailliau, F. Halter, C. Chauveau, G. Dayma, P. Dagaut. Proc. Combust. Inst. 36, 553–560 (2017). http://dx.doi.org/10.1016/j.proci.2016.06.041

Third O2 addition in 2-methylhexane auto-oxidation: a photoionization mass spectrometry and kinetic modeling study. Z. Wang, S.Y. Mohamed, L. Zhang, K. Moshammer, D.M. Popolan-Vaida, V.S. Bhavani Shankar, A. Lucassen, C. Hemken, C.A. Taatjes, S.R. Leone, K. Kohse-Höinghaus, N. Hansen, P. Dagaut, S. M. Sarathy. Proc. Combust. Inst. 36, 373–382 (2017) http://dx.doi.org/10.1016/j.proci.2016.06.085

Experimental and Detailed Kinetic Modeling Study of Cyclopentanone Oxidation in a Jet-Stirred Reactor at 1 and 10 atm. S. Thion, Togbé, G. Dayma, Z. Serinyel, P. Dagaut. Energy & Fuels 31(3) 2144–2155 (2017). http://dx.doi.org/10.1021/acs.energyfuels.6b02061

An experimental and modeling study of the oxidation of two branched aldehydes in a jet-stirred reactor: 2-methylbutanal and 3-methylbutanal. Z. Serinyel, C. Togbé, G. Dayma, P. Dagaut. Energy & Fuels 31(3) 3206–3218 (2017). http://dx.doi.org/10.1021/acs.energyfuels.6b03053

Quantities of Interest in Jet Stirred Reactor Oxidation of a High-Octane Gasoline. B. Chen, C. Togbé, H. Selim, P. Dagaut, S. M. Sarathy. Energy & Fuels 31(5) 5543–5553 (2017). http://dx.doi.org/10.1021/acs.energyfuels.6b03193

A chemical kinetic investigation on butyl formate oxidation: ab-initio calculations and experiments in a jet-stirred reactor. A.M. Zaras, M. Szőri, S. Thion, P. Van Cauwenberghe, F. Deguillaume, Z. Serinyel, G. Dayma, P. Dagaut.
Energy & Fuels 31(6)6194-6205 (2017). http://dx.doi.org/10.1021/acs.energyfuels.7b00686