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Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate). / Knyazkov, D. A.; Gerasimov, I. E.; Hansen, N. et al.

In: Proceedings of the Combustion Institute, Vol. 36, No. 1, 01.01.2017, p. 1185-1192.

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

Harvard

Knyazkov, DA, Gerasimov, IE, Hansen, N, Shmakov, AG & Korobeinichev, OP 2017, 'Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate)', Proceedings of the Combustion Institute, vol. 36, no. 1, pp. 1185-1192. https://doi.org/10.1016/j.proci.2016.07.038

APA

Knyazkov, D. A., Gerasimov, I. E., Hansen, N., Shmakov, A. G., & Korobeinichev, O. P. (2017). Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate). Proceedings of the Combustion Institute, 36(1), 1185-1192. https://doi.org/10.1016/j.proci.2016.07.038

Vancouver

Knyazkov DA, Gerasimov IE, Hansen N, Shmakov AG, Korobeinichev OP. Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate). Proceedings of the Combustion Institute. 2017 Jan 1;36(1):1185-1192. doi: 10.1016/j.proci.2016.07.038

Author

Knyazkov, D. A. ; Gerasimov, I. E. ; Hansen, N. et al. / Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate). In: Proceedings of the Combustion Institute. 2017 ; Vol. 36, No. 1. pp. 1185-1192.

BibTeX

@article{2797d79031c543adb09440c1f0b4aac5,
title = "Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate)",
abstract = "A stoichiometric premixed burner-stabilized flame of ethyl pentanoate/O2/Ar mixture at low pressure (20 Torr) was examined by molecular-beam mass spectrometry combined with single-photon ionization to delineate the decomposition and high-temperature oxidation kinetics of ethyl pentanoate in combustion processes. Mole fraction profiles of 43 species were measured in the flame and compared with those calculated using a detailed chemical kinetic mechanism for ethyl pentanoate oxidation. Substantial discrepancies between the measured and modeled peak mole fractions of many intermediates in the flame were noted. The reaction pathways responsible for consumption of primary radicals formed directly from the fuel molecule as well as of the products of successive β-scission reactions should be revised when developing a next-generation combustion model for ethyl pentanoate.",
keywords = "Biofuel, Chemical kinetic modeling, Ethyl pentanoate, Molecular-beam mass spectrometry, Premixed flame, OXIDATION, JET-STIRRED REACTOR, MECHANISM, SMALL ALKYL ESTERS, METHYL, COMBUSTION CHEMISTRY",
author = "Knyazkov, {D. A.} and Gerasimov, {I. E.} and N. Hansen and Shmakov, {A. G.} and Korobeinichev, {O. P.}",
year = "2017",
month = jan,
day = "1",
doi = "10.1016/j.proci.2016.07.038",
language = "English",
volume = "36",
pages = "1185--1192",
journal = "Proceedings of the Combustion Institute",
issn = "1540-7489",
publisher = "Elsevier Ltd",
number = "1",

}

RIS

TY - JOUR

T1 - Photoionization mass spectrometry and modeling study of a low-pressure premixed flame of ethyl pentanoate (ethyl valerate)

AU - Knyazkov, D. A.

AU - Gerasimov, I. E.

AU - Hansen, N.

AU - Shmakov, A. G.

AU - Korobeinichev, O. P.

PY - 2017/1/1

Y1 - 2017/1/1

N2 - A stoichiometric premixed burner-stabilized flame of ethyl pentanoate/O2/Ar mixture at low pressure (20 Torr) was examined by molecular-beam mass spectrometry combined with single-photon ionization to delineate the decomposition and high-temperature oxidation kinetics of ethyl pentanoate in combustion processes. Mole fraction profiles of 43 species were measured in the flame and compared with those calculated using a detailed chemical kinetic mechanism for ethyl pentanoate oxidation. Substantial discrepancies between the measured and modeled peak mole fractions of many intermediates in the flame were noted. The reaction pathways responsible for consumption of primary radicals formed directly from the fuel molecule as well as of the products of successive β-scission reactions should be revised when developing a next-generation combustion model for ethyl pentanoate.

AB - A stoichiometric premixed burner-stabilized flame of ethyl pentanoate/O2/Ar mixture at low pressure (20 Torr) was examined by molecular-beam mass spectrometry combined with single-photon ionization to delineate the decomposition and high-temperature oxidation kinetics of ethyl pentanoate in combustion processes. Mole fraction profiles of 43 species were measured in the flame and compared with those calculated using a detailed chemical kinetic mechanism for ethyl pentanoate oxidation. Substantial discrepancies between the measured and modeled peak mole fractions of many intermediates in the flame were noted. The reaction pathways responsible for consumption of primary radicals formed directly from the fuel molecule as well as of the products of successive β-scission reactions should be revised when developing a next-generation combustion model for ethyl pentanoate.

KW - Biofuel

KW - Chemical kinetic modeling

KW - Ethyl pentanoate

KW - Molecular-beam mass spectrometry

KW - Premixed flame

KW - OXIDATION

KW - JET-STIRRED REACTOR

KW - MECHANISM

KW - SMALL ALKYL ESTERS

KW - METHYL

KW - COMBUSTION CHEMISTRY

UR - http://www.scopus.com/inward/record.url?scp=84978792812&partnerID=8YFLogxK

U2 - 10.1016/j.proci.2016.07.038

DO - 10.1016/j.proci.2016.07.038

M3 - Article

AN - SCOPUS:84978792812

VL - 36

SP - 1185

EP - 1192

JO - Proceedings of the Combustion Institute

JF - Proceedings of the Combustion Institute

SN - 1540-7489

IS - 1

ER -

ID: 10322004