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A Systematically Updated Detailed Kinetic Model for CH2O and CH3OH Combustion

Christensen, M. LU ; Nilsson, E. J K LU and Konnov, A. A. LU (2016) In Energy and Fuels 30(8). p.6709-6726
Abstract

A new detailed kinetic mechanism for formaldehyde and methanol combustion has been developed using the Konnov mechanism, version 0.6, as a starting point. In total, 82 reactions of the formaldehyde and methanol subsets were reviewed and updated using a systematic approach. Rate constants were selected based on thorough evaluation of available experimental and theoretical data. No modifications of the rate constants were performed. The mechanism was validated over a wide range of experimental conditions and devices, including shock tube and flow reactors and burner stabilized and freely propagating flames. An overall good agreement with experimental data was seen. Simulated shock tube pyrolysis and flow reactor oxidation was generally in... (More)

A new detailed kinetic mechanism for formaldehyde and methanol combustion has been developed using the Konnov mechanism, version 0.6, as a starting point. In total, 82 reactions of the formaldehyde and methanol subsets were reviewed and updated using a systematic approach. Rate constants were selected based on thorough evaluation of available experimental and theoretical data. No modifications of the rate constants were performed. The mechanism was validated over a wide range of experimental conditions and devices, including shock tube and flow reactors and burner stabilized and freely propagating flames. An overall good agreement with experimental data was seen. Simulated shock tube pyrolysis and flow reactor oxidation was generally in satisfying agreement to the experimental results, and the new mechanism showed a significant improvement in predicting the laminar burning velocity of methanol.

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Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Energy and Fuels
volume
30
issue
8
pages
18 pages
publisher
The American Chemical Society
external identifiers
  • scopus:84983681027
  • wos:000381778500058
ISSN
0887-0624
DOI
10.1021/acs.energyfuels.6b00049
language
English
LU publication?
yes
id
ccba7815-31fb-4734-b39b-2d3c454eb80e
date added to LUP
2016-10-04 10:27:18
date last changed
2017-03-26 04:45:39
@article{ccba7815-31fb-4734-b39b-2d3c454eb80e,
  abstract     = {<p>A new detailed kinetic mechanism for formaldehyde and methanol combustion has been developed using the Konnov mechanism, version 0.6, as a starting point. In total, 82 reactions of the formaldehyde and methanol subsets were reviewed and updated using a systematic approach. Rate constants were selected based on thorough evaluation of available experimental and theoretical data. No modifications of the rate constants were performed. The mechanism was validated over a wide range of experimental conditions and devices, including shock tube and flow reactors and burner stabilized and freely propagating flames. An overall good agreement with experimental data was seen. Simulated shock tube pyrolysis and flow reactor oxidation was generally in satisfying agreement to the experimental results, and the new mechanism showed a significant improvement in predicting the laminar burning velocity of methanol.</p>},
  author       = {Christensen, M. and Nilsson, E. J K and Konnov, A. A.},
  issn         = {0887-0624},
  language     = {eng},
  month        = {08},
  number       = {8},
  pages        = {6709--6726},
  publisher    = {The American Chemical Society},
  series       = {Energy and Fuels},
  title        = {A Systematically Updated Detailed Kinetic Model for CH<sub>2</sub>O and CH<sub>3</sub>OH Combustion},
  url          = {http://dx.doi.org/10.1021/acs.energyfuels.6b00049},
  volume       = {30},
  year         = {2016},
}