Methyl-3-hexenoate combustion chemistry : Experimental study and numerical kinetic simulation
(2020) In Combustion and Flame 222. p.170-180- 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... (More)
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.
(Less)
- author
- organization
- publishing date
- 2020
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Burning velocity, Flame structure, Ignition, Methyl-3-hexenoate, Oxidation
- in
- Combustion and Flame
- volume
- 222
- pages
- 11 pages
- publisher
- Elsevier
- external identifiers
-
- scopus:85090211514
- ISSN
- 0010-2180
- DOI
- 10.1016/j.combustflame.2020.08.028
- language
- English
- LU publication?
- yes
- id
- a2bb8938-55a4-474b-92f1-b2cdcd7524c8
- date added to LUP
- 2020-09-14 12:44:30
- date last changed
- 2022-04-19 00:44:37
@article{a2bb8938-55a4-474b-92f1-b2cdcd7524c8,
abstract = {{<p>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.</p>}},
author = {{Gerasimov, Ilya E. and Knyazkov, Denis A. and Bolshova, Tatyana A. and Shmakov, Andrey G. and Korobeinichev, Oleg P. and Carbonnier, Maxime and Lefort, Benoîte and Kéromnès, Alan and Le Moyne, Luis and Lubrano Lavadera, Marco and Konnov, Alexander A. and Zhou, Chong Wen and Serinyel, Zeynep and Dayma, Guillaume and Dagaut, Philippe}},
issn = {{0010-2180}},
keywords = {{Burning velocity; Flame structure; Ignition; Methyl-3-hexenoate; Oxidation}},
language = {{eng}},
pages = {{170--180}},
publisher = {{Elsevier}},
series = {{Combustion and Flame}},
title = {{Methyl-3-hexenoate combustion chemistry : Experimental study and numerical kinetic simulation}},
url = {{http://dx.doi.org/10.1016/j.combustflame.2020.08.028}},
doi = {{10.1016/j.combustflame.2020.08.028}},
volume = {{222}},
year = {{2020}},
}