Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Methyl-3-hexenoate combustion chemistry: Experimental study and numerical kinetic simulation. / Gerasimov, Ilya E.; Knyazkov, Denis A.; Bolshova, Tatyana A. и др.
в: Combustion and Flame, Том 222, 01.12.2020, стр. 170-180.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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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
N1 - Publisher Copyright: © 2020 Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
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