Investigation on the oxidation chemistry of methanol in laminar premixed flames

Xiaoyuan Zhang; Guoqing Wang; Jiabiao Zou; Yuyang Li; Wei Li; Tianyu Li; Hanfeng Jin; Zhongyue Zhou; Yin Yu Lee

doi:10.1016/j.combustflame.2017.02.016

Investigation on the oxidation chemistry of methanol in laminar premixed flames

Xiaoyuan Zhang, Guoqing Wang, Jiabiao Zou, Yuyang Li^*, Wei Li, Tianyu Li, Hanfeng Jin, Zhongyue Zhou, Yin Yu Lee

^*Corresponding author for this work

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

54 Scopus citations

Abstract

In this work, oxidation chemistry of methanol was investigated in laminar premixed flames. Laminar burning velocities of methanol/air mixtures at 423 K and 1–10 atm were measured in a spherical combustion vessel, extending the range of equivalence ratio up to 2.1. A stoichiometric premixed flat flame of methanol/O₂/Ar at 0.04 atm was also conducted using synchrotron VUV photoionization mass spectrometry (SVUV-PIMS) to obtain more detailed kinetic information. Particularly, fuel-derived radicals including methoxy radical and hydroxymethyl radical were observed, while formaldehyde (CH₂O) and formic acid (HOCHO) were identified as the abundantly produced intermediates in methanol flame. A methanol model was developed and validated against the experimental data obtained in this work, as well as in literature. In the predictions of laminar burning velocities, HO₂ radical plays an important role under very rich conditions. Besides, the measurement of formaldehyde and formic acid in methanol flame is helpful to constrain the rate constant of CH₂OH + O₂ = CH₂O + HO₂, which presents large uncertainties at high temperatures.

Original language	English (US)
Pages (from-to)	20-31
Number of pages	12
Journal	Combustion and Flame
Volume	180
DOIs	https://doi.org/10.1016/j.combustflame.2017.02.016
State	Published - 2017

Bibliographical note

Funding Information:
Authors are grateful for the funding support from National Natural Science Foundation of China (51622605, 91541201, U1332208), National Basic Research Program of China (973 Program) (2013CB834602), National Key Scientific Instruments and Equipment Development Program of China (2012YQ22011305), and Chinese Academy of Sciences.

Publisher Copyright:
© 2017 The Combustion Institute

Keywords

Kinetic model
Laminar burning velocities
Laminar premixed flat flame
Methanol
SVUV-PIMS

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering
Fuel Technology
Energy Engineering and Power Technology
General Physics and Astronomy

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10.1016/j.combustflame.2017.02.016

Cite this

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title = "Investigation on the oxidation chemistry of methanol in laminar premixed flames",

abstract = "In this work, oxidation chemistry of methanol was investigated in laminar premixed flames. Laminar burning velocities of methanol/air mixtures at 423 K and 1–10 atm were measured in a spherical combustion vessel, extending the range of equivalence ratio up to 2.1. A stoichiometric premixed flat flame of methanol/O2/Ar at 0.04 atm was also conducted using synchrotron VUV photoionization mass spectrometry (SVUV-PIMS) to obtain more detailed kinetic information. Particularly, fuel-derived radicals including methoxy radical and hydroxymethyl radical were observed, while formaldehyde (CH2O) and formic acid (HOCHO) were identified as the abundantly produced intermediates in methanol flame. A methanol model was developed and validated against the experimental data obtained in this work, as well as in literature. In the predictions of laminar burning velocities, HO2 radical plays an important role under very rich conditions. Besides, the measurement of formaldehyde and formic acid in methanol flame is helpful to constrain the rate constant of CH2OH + O2 = CH2O + HO2, which presents large uncertainties at high temperatures.",

keywords = "Kinetic model, Laminar burning velocities, Laminar premixed flat flame, Methanol, SVUV-PIMS",

author = "Xiaoyuan Zhang and Guoqing Wang and Jiabiao Zou and Yuyang Li and Wei Li and Tianyu Li and Hanfeng Jin and Zhongyue Zhou and Lee, {Yin Yu}",

note = "Funding Information: Authors are grateful for the funding support from National Natural Science Foundation of China (51622605, 91541201, U1332208), National Basic Research Program of China (973 Program) (2013CB834602), National Key Scientific Instruments and Equipment Development Program of China (2012YQ22011305), and Chinese Academy of Sciences. Publisher Copyright: {\textcopyright} 2017 The Combustion Institute",

year = "2017",

doi = "10.1016/j.combustflame.2017.02.016",

language = "English (US)",

volume = "180",

pages = "20--31",

journal = "Combustion and Flame",

issn = "0010-2180",

publisher = "Elsevier",

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TY - JOUR

T1 - Investigation on the oxidation chemistry of methanol in laminar premixed flames

AU - Zhang, Xiaoyuan

AU - Wang, Guoqing

AU - Zou, Jiabiao

AU - Li, Yuyang

AU - Li, Wei

AU - Li, Tianyu

AU - Jin, Hanfeng

AU - Zhou, Zhongyue

AU - Lee, Yin Yu

N1 - Funding Information: Authors are grateful for the funding support from National Natural Science Foundation of China (51622605, 91541201, U1332208), National Basic Research Program of China (973 Program) (2013CB834602), National Key Scientific Instruments and Equipment Development Program of China (2012YQ22011305), and Chinese Academy of Sciences. Publisher Copyright: © 2017 The Combustion Institute

PY - 2017

Y1 - 2017

N2 - In this work, oxidation chemistry of methanol was investigated in laminar premixed flames. Laminar burning velocities of methanol/air mixtures at 423 K and 1–10 atm were measured in a spherical combustion vessel, extending the range of equivalence ratio up to 2.1. A stoichiometric premixed flat flame of methanol/O2/Ar at 0.04 atm was also conducted using synchrotron VUV photoionization mass spectrometry (SVUV-PIMS) to obtain more detailed kinetic information. Particularly, fuel-derived radicals including methoxy radical and hydroxymethyl radical were observed, while formaldehyde (CH2O) and formic acid (HOCHO) were identified as the abundantly produced intermediates in methanol flame. A methanol model was developed and validated against the experimental data obtained in this work, as well as in literature. In the predictions of laminar burning velocities, HO2 radical plays an important role under very rich conditions. Besides, the measurement of formaldehyde and formic acid in methanol flame is helpful to constrain the rate constant of CH2OH + O2 = CH2O + HO2, which presents large uncertainties at high temperatures.

AB - In this work, oxidation chemistry of methanol was investigated in laminar premixed flames. Laminar burning velocities of methanol/air mixtures at 423 K and 1–10 atm were measured in a spherical combustion vessel, extending the range of equivalence ratio up to 2.1. A stoichiometric premixed flat flame of methanol/O2/Ar at 0.04 atm was also conducted using synchrotron VUV photoionization mass spectrometry (SVUV-PIMS) to obtain more detailed kinetic information. Particularly, fuel-derived radicals including methoxy radical and hydroxymethyl radical were observed, while formaldehyde (CH2O) and formic acid (HOCHO) were identified as the abundantly produced intermediates in methanol flame. A methanol model was developed and validated against the experimental data obtained in this work, as well as in literature. In the predictions of laminar burning velocities, HO2 radical plays an important role under very rich conditions. Besides, the measurement of formaldehyde and formic acid in methanol flame is helpful to constrain the rate constant of CH2OH + O2 = CH2O + HO2, which presents large uncertainties at high temperatures.

KW - Kinetic model

KW - Laminar burning velocities

KW - Laminar premixed flat flame

KW - Methanol

KW - SVUV-PIMS

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SN - 0010-2180

VL - 180

SP - 20

EP - 31

JO - Combustion and Flame

JF - Combustion and Flame

ER -

Investigation on the oxidation chemistry of methanol in laminar premixed flames

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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