Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation

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Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation. / Gerasimov, Ilya E.; Knyazkov, Denis A.; Bolshova, Tatyana A. et al.

In: Combustion and Flame, Vol. 222, 01.12.2020, p. 170-180.

Research output: Contribution to journal › Article › peer-review

Harvard

Gerasimov, IE, Knyazkov, DA, Bolshova, TA, Shmakov, AG, Korobeinichev, OP, Carbonnier, M, Lefort, B, Kéromnès, A, Le Moyne, L, Lubrano Lavadera, M, Konnov, AA, Zhou, CW, Serinyel, Z, Dayma, G & Dagaut, P 2020, 'Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation', Combustion and Flame, vol. 222, pp. 170-180. https://doi.org/10.1016/j.combustflame.2020.08.028

APA

Gerasimov, I. E., Knyazkov, D. A., Bolshova, T. A., Shmakov, A. G., Korobeinichev, O. P., Carbonnier, M., Lefort, B., Kéromnès, A., Le Moyne, L., Lubrano Lavadera, M., Konnov, A. A., Zhou, C. W., Serinyel, Z., Dayma, G., & Dagaut, P. (2020). Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation. Combustion and Flame, 222, 170-180. https://doi.org/10.1016/j.combustflame.2020.08.028

Vancouver

Gerasimov IE, Knyazkov DA, Bolshova TA, Shmakov AG, Korobeinichev OP, Carbonnier M et al. Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation. Combustion and Flame. 2020 Dec 1;222:170-180. doi: 10.1016/j.combustflame.2020.08.028

Author

Gerasimov, Ilya E. ; Knyazkov, Denis A. ; Bolshova, Tatyana A. et al. / Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation. In: Combustion and Flame. 2020 ; Vol. 222. pp. 170-180.

BibTeX

@article{5d429e040298407eae5dc1d3195601fa,

title = "Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation",

abstract = "This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. An updated detailed chemical kinetic mechanism for methyl-3-hexenoate combustion based on previous studies was proposed and validated against the novel experimental data and the relevant data available in literature with satisfactory agreement. Sensitivity and reaction pathway analyses were performed to show main decomposition pathways of methyl-3-hexenoate and underline possible sources of disagreements between experiments and simulations.",

keywords = "Burning velocity, Flame structure, Ignition, Methyl-3-hexenoate, Oxidation, OXIDATION, ACID METHYL-ESTERS, JET-STIRRED REACTOR, FLAME, PRESSURE, HEAT-FLUX METHOD, TEMPERATURE, PHOTOIONIZATION MASS-SPECTROMETRY, BIODIESEL, GAS-PHASE",

author = "Gerasimov, {Ilya E.} and Knyazkov, {Denis A.} and Bolshova, {Tatyana A.} and Shmakov, {Andrey G.} and Korobeinichev, {Oleg P.} and Maxime Carbonnier and Beno{\^i}te Lefort and Alan K{\'e}romn{\`e}s and {Le Moyne}, Luis and {Lubrano Lavadera}, Marco and Konnov, {Alexander A.} and Zhou, {Chong Wen} and Zeynep Serinyel and Guillaume Dayma and Philippe Dagaut",

year = "2020",

month = dec,

day = "1",

doi = "10.1016/j.combustflame.2020.08.028",

language = "English",

volume = "222",

pages = "170--180",

journal = "Combustion and Flame",

issn = "0010-2180",

publisher = "Elsevier Science Inc.",

}

RIS

TY - JOUR

T1 - Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation

AU - Gerasimov, Ilya E.

AU - Knyazkov, Denis A.

AU - Bolshova, Tatyana A.

AU - Shmakov, Andrey G.

AU - Korobeinichev, Oleg P.

AU - Carbonnier, Maxime

AU - Lefort, Benoîte

AU - Kéromnès, Alan

AU - Le Moyne, Luis

AU - Lubrano Lavadera, Marco

AU - Konnov, Alexander A.

AU - Zhou, Chong Wen

AU - Serinyel, Zeynep

AU - Dayma, Guillaume

AU - Dagaut, Philippe

PY - 2020/12/1

Y1 - 2020/12/1

N2 - This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. An updated detailed chemical kinetic mechanism for methyl-3-hexenoate combustion based on previous studies was proposed and validated against the novel experimental data and the relevant data available in literature with satisfactory agreement. Sensitivity and reaction pathway analyses were performed to show main decomposition pathways of methyl-3-hexenoate and underline possible sources of disagreements between experiments and simulations.

AB - This work represents a detailed investigation of combustion and oxidation of methyl-3-hexenoate (CAS Number 2396-78-3), including experimental studies of combustion and oxidation characteristics, quantum chemistry calculations and kinetic model refinement. Following experiments have been carried out: Speciation measurements during oxidation in a jet-stirred reactor at 1 atm; chemical speciation measurements in a stoichiometric premixed flame at 1 atm using molecular-beam mass-spectrometry; ignition delay times measurements in a shock tube at 20 and 40 bar; and laminar burning velocity measurements at 1 atm using a heat-flux burner over a range of equivalence ratios. An updated detailed chemical kinetic mechanism for methyl-3-hexenoate combustion based on previous studies was proposed and validated against the novel experimental data and the relevant data available in literature with satisfactory agreement. Sensitivity and reaction pathway analyses were performed to show main decomposition pathways of methyl-3-hexenoate and underline possible sources of disagreements between experiments and simulations.

KW - Burning velocity

KW - Flame structure

KW - Ignition

KW - Methyl-3-hexenoate

KW - Oxidation

KW - OXIDATION

KW - ACID METHYL-ESTERS

KW - JET-STIRRED REACTOR

KW - FLAME

KW - PRESSURE

KW - HEAT-FLUX METHOD

KW - TEMPERATURE

KW - PHOTOIONIZATION MASS-SPECTROMETRY

KW - BIODIESEL

KW - GAS-PHASE

UR - http://www.scopus.com/inward/record.url?scp=85090211514&partnerID=8YFLogxK

U2 - 10.1016/j.combustflame.2020.08.028

DO - 10.1016/j.combustflame.2020.08.028

M3 - Article

AN - SCOPUS:85090211514

VL - 222

SP - 170

EP - 180

JO - Combustion and Flame

JF - Combustion and Flame

SN - 0010-2180

ER -

ID: 25297290