Search Results - "Sirjean, B."

Development of a Detailed Kinetic Model for the Oxidation of n‑Butane in the Liquid Phase by Le, M. D, Warth, V, Giarracca, L, Moine, E, Bounaceur, R, Privat, R, Jaubert, J.-N, Fournet, R, Glaude, P.-A, Sirjean, B

“…The chemistry underlying liquid-phase oxidation of organic compounds, the main cause of their aging, is characterized by a free-radical chain reaction…”
Get full text

Quantum Chemical Study of the Thermochemical Properties of Organophosphorous Compounds by Khalfa, A, Ferrari, M, Fournet, R, Sirjean, B, Verdier, L, Glaude, P. A

“…Organophosphorous compounds are involved in many toxic compounds such as fungicides, pesticides, or chemical warfare nerve agents. The understanding of the…”
Get full text

Kinetic modeling of the thermal destruction of lewisite by Lizardo-Huerta, J.-C., Sirjean, B., Verdier, L., Fournet, R., Glaude, P.-A.

“…[Display omitted] •First detail kinetic model for the pyrolysis and combustion of lewisite.•Methodology for the theoretical ab initio calculation of…”
Get full text

Detailed Kinetic Study of the Ring Opening of Cycloalkanes by CBS-QB3 Calculations by Sirjean, B, Glaude, P. A, Ruiz-Lopez, M. F, Fournet, R

“…This work reports a theoretical study of the gas-phase unimolecular decomposition of cyclobutane, cyclopentane and cyclohexane by means of quantum chemical…”
Get full text

Theoretical Kinetic Study of the Reactions of Cycloalkylperoxy Radicals by Sirjean, B, Glaude, P. A, Ruiz-Lòpez, M. F, Fournet, R

“…Reactions of alkyl radicals with oxygen are key reactions in the low-temperature oxidation of hydrocarbons, but they have not been extensively studied yet in…”
Get full text

Thermal cracking of n-butylbenzene at high pressure: Experimental study and kinetic modelling by Leguizamon Guerra, N.C., Lizardo Huerta, J.C., Lorgeoux, C., Michels, R., Fournet, R., Sirjean, B., Randi, A., Bounaceur, R., Burklé-Vitzthum, V.

“…[Display omitted] •Pyrolysis of n-butylbenzene at 70 MPa and from 583 K to 623 K was performed in sealed gold tubes.•The main products are toluene,…”
Get full text

Combustion and Pyrolysis Kinetics of Chloropicrin by Lizardo-Huerta, J.-C, Sirjean, B, Verdier, L, Fournet, R, Glaude, P.-A

“…Chloropicrin (CCl3NO2) is widely used in agriculture as a pesticide, weed-killer, fungicide or nematicide. It has also been used as a chemical agent during…”
Get full text

Theoretical Kinetic Study of Thermal Unimolecular Decomposition of Cyclic Alkyl Radicals by Sirjean, B, Glaude, P. A, Ruiz-Lopèz, M. F, Fournet, R

“…Whereas many studies have been reported on the reactions of aliphatic hydrocarbons, the chemistry of cyclic hydrocarbons has not been explored extensively. In…”
Get full text

The autoignition of cyclopentane and cyclohexane in a shock tube by Sirjean, B., Buda, F., Hakka, H., Glaude, P.A., Fournet, R., Warth, V., Battin-Leclerc, F., Ruiz-Lopez, M.

“…Ignition delay times of cyclohexane–oxygen–argon and cyclopentane–oxygen–argon mixtures have been measured in a shock tube, the onset of ignition being…”
Get full text

A mechanistic and experimental study on the diethyl ether oxidation by Di Tommaso, S., Rotureau, P., Sirjean, B., Fournet, R., Benaissa, W., Gruez, P., Adamo, C.

“…This work presents the results of the theoretical investigations on autoxidation process of diethyl ether (DEE), a chemical largely used as solvent in…”
Get full text

Automatization of theoretical kinetic data generation for tabulated TS models building - Part II: 1,2 to 1,5-H-shift reactions in alkyl radicals by Destro, F.C., Fournet, R., Bounaceur, R., Warth, V., Glaude, P.A., Sirjean, B.

“…Branched alkanes make up a significant fraction of sustainable alternative fuels. The accurate chemical kinetic modeling of the pyrolysis and oxidation of…”
Get full text

An experimental and detailed kinetic modeling of the thermal oxidation stability of n-decane as a jet fuel surrogate component by Le, M.D., El Sayah, Z., Benrabah, R., Warth, V., Glaude, P.-A., Privat, R., Fournet, R., Sirjean, B.

“…•Experimental measurements of the autoxidation kinetics of n-decane were performed.•The total hydroperoxides content of the oxidized liquid n-decane was…”
Get full text

Automatization of theoretical kinetic data generation for tabulated TS models building - Part 1: Application to 1,3-H-shift reactions by Destro, F.C., Fournet, R., Bounaceur, R., Warth, V., Glaude, P.A., Sirjean, B.

“…Estimation of kinetic parameters is a key aspect of chemical combustion modeling and several approaches were developed to approximate unknown data. In this…”
Get full text

Theoretical study of the gas-phase thermal decomposition of urea by Honorien, J., Fournet, R., Glaude, P.-A., Sirjean, B.

“…Urea is used in Selective Catalytic and Non Catalytic Reduction (SCR and SNCR) methods for NOx abatement in post-combustion processes. The decomposition of…”
Get full text

Progress in detailed kinetic modeling of the combustion of oxygenated components of biofuels by Tran, Luc Sy, Sirjean, Baptiste, Glaude, Pierre-Alexandre, Fournet, René, Battin-Leclerc, Frédérique

“…Due to growing environmental concerns and diminishing petroleum reserves, a wide range of oxygenated species has been proposed as possible substitutes to…”
Get full text

Experimental and kinetic modeling of the ignition delays of cyclohexane, cyclohexene, and cyclohexadienes: Effect of unsaturation by Giarracca, L., Isufaj, F., Lizardo-Huerta, J.-C., Fournet, R., Glaude, P.-A., Sirjean, B.

“…Cyclic and aromatic hydrocarbons are important components of usual commercial fuels, with C6-rings being among the most abundant cyclic structures. The…”
Get full text

The decisive role of pericyclic reactions in the thermal decomposition of organophosphorus compounds by Lizardo-Huerta, J.-C., Sirjean, B., Verdier, L., Fournet, R., Glaude, P.-A.

“…The understanding of the thermal decomposition chemistry of chemical warfare nerve agents is largely limited by the scarcity of kinetic data. Because of the…”
Get full text

An experimental and modeling study of the propagation of cyclohexane and mono-alkylated cyclohexane flames by Ji, Chunsheng, Dames, Enoch, Sirjean, Baptiste, Wang, Hai, Egolfopoulos, Fokion N.

“…Laminar flame speeds of cyclohexane/air, methylcyclohexane/air, ethylcyclohexane/air, n-propylcyclohexane/air, and n-butylcyclohexane/air mixtures were…”
Get full text

Improvement of the Modeling of the Low-Temperature Oxidation of n-Butane: Study of the Primary Reactions by Cord, Maximilien, Sirjean, Baptiste, Fournet, René, Tomlin, Alison, Ruiz-Lopez, Manuel, Battin-Leclerc, Frédérique

“…This paper revisits the primary reactions involved in the oxidation of n-butane from low to intermediate temperatures (550–800 K) including the negative…”
Get full text

An experimental and kinetic investigation of premixed furan/oxygen/argon flames by Tian, Zhenyu, Yuan, Tao, Fournet, René, Glaude, Pierre-Alexandre, Sirjean, Baptiste, Battin-Leclerc, Frédérique, Zhang, Kuiwen, Qi, Fei

“…The detailed chemical structures of three low-pressure (35 Torr) premixed laminar furan/oxygen/argon flames with equivalence ratios of 1.4, 1.8 and 2.2 have…”
Get full text