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Kinetic modelling and experimental study of small esters : Methyl acetate and ethyl acetate

Ahmed, Ahfaz ; Mehl, Marco ; Lokachari, Nitin ; Nilsson, Elna J.K. LU orcid ; Konnov, Alexander A. LU ; Wagnon, Scott W. ; Pitz, William J. ; Curran, Henry J. ; Roberts, William L. and Mani Sarathy, S. (2017) 11th Asia-Pacific Conference on Combustion, ASPACC 2017 2017-December.
Abstract

A detailed chemical kinetic mechanism comprising methyl acetate and ethyl acetate has been developed based on the previous work by Westbrook et al. [1]. The newly developed kinetic mechanism has been updated with new reaction rates from recent theoretical studies. To validate this model, shock tube experiments measuring ignition delay time have been conducted at 15 & 30 bar and equivalence ratio 0.5, 1.0 and 2.0. Another set of experiments measuring laminar burning velocity was also performed on a heat flux burner at atmospheric pressure over wide range of equivalence ratios [ ~ 0.7-1.4]. The new mechanism shows significant improvement in prediction of experimental data over earlier model across the range of experiments.

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A detailed chemical kinetic mechanism comprising methyl acetate and ethyl acetate has been developed based on the previous work by Westbrook et al. [1]. The newly developed kinetic mechanism has been updated with new reaction rates from recent theoretical studies. To validate this model, shock tube experiments measuring ignition delay time have been conducted at 15 & 30 bar and equivalence ratio 0.5, 1.0 and 2.0. Another set of experiments measuring laminar burning velocity was also performed on a heat flux burner at atmospheric pressure over wide range of equivalence ratios [ ~ 0.7-1.4]. The new mechanism shows significant improvement in prediction of experimental data over earlier model across the range of experiments.

In this study, a detailed chemical kinetic model for methyl and ethyl acetate (Fig. 1) has been developed. This model is advanced from the mechanism proposed for laminar premixed flames by Westbrook and coworkers in 2009 [1]. Acetates studied in this work are both high RON fuels with suitable physical and chemical properties [Table 1] to be considered as potential fuels in advanced gasoline engines [4]. Shock tube experiments measuring ignition delay time have been conducted at 15 & 30 bar and equivalence ratio 0.5, 1.0 and 2.0. Another set of experiments measuring laminar burning velocity have also been performed on a heat flux burner at atmospheric pressure over wide range of equivalence ratios. The model developed in this work shows good agreement with ignition data and laminar burning velocity data across the temperature and equivalence ratio range respectively.

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organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
host publication
11th Asia-Pacific Conference on Combustion, ASPACC 2017
volume
2017-December
publisher
Combustion Institute
conference name
11th Asia-Pacific Conference on Combustion, ASPACC 2017
conference location
Sydney, Australia
conference dates
2017-12-10 - 2017-12-14
external identifiers
  • scopus:85046543119
language
English
LU publication?
yes
id
588d3165-d66d-470e-9fc0-739a5c16685d
date added to LUP
2018-05-28 13:48:04
date last changed
2022-03-09 18:57:41
@inproceedings{588d3165-d66d-470e-9fc0-739a5c16685d,
  abstract     = {{<p>A detailed chemical kinetic mechanism comprising methyl acetate and ethyl acetate has been developed based on the previous work by Westbrook et al. [1]. The newly developed kinetic mechanism has been updated with new reaction rates from recent theoretical studies. To validate this model, shock tube experiments measuring ignition delay time have been conducted at 15 &amp; 30 bar and equivalence ratio 0.5, 1.0 and 2.0. Another set of experiments measuring laminar burning velocity was also performed on a heat flux burner at atmospheric pressure over wide range of equivalence ratios [ ~ 0.7-1.4]. The new mechanism shows significant improvement in prediction of experimental data over earlier model across the range of experiments.</p><p>In this study, a detailed chemical kinetic model for methyl and ethyl acetate (Fig. 1) has been developed. This model is advanced from the mechanism proposed for laminar premixed flames by Westbrook and coworkers in 2009 [1]. Acetates studied in this work are both high RON fuels with suitable physical and chemical properties [Table 1] to be considered as potential fuels in advanced gasoline engines [4]. Shock tube experiments measuring ignition delay time have been conducted at 15 &amp; 30 bar and equivalence ratio 0.5, 1.0 and 2.0. Another set of experiments measuring laminar burning velocity have also been performed on a heat flux burner at atmospheric pressure over wide range of equivalence ratios. The model developed in this work shows good agreement with ignition data and laminar burning velocity data across the temperature and equivalence ratio range respectively.</p>}},
  author       = {{Ahmed, Ahfaz and Mehl, Marco and Lokachari, Nitin and Nilsson, Elna J.K. and Konnov, Alexander A. and Wagnon, Scott W. and Pitz, William J. and Curran, Henry J. and Roberts, William L. and Mani Sarathy, S.}},
  booktitle    = {{11th Asia-Pacific Conference on Combustion, ASPACC 2017}},
  language     = {{eng}},
  month        = {{01}},
  publisher    = {{Combustion Institute}},
  title        = {{Kinetic modelling and experimental study of small esters : Methyl acetate and ethyl acetate}},
  volume       = {{2017-December}},
  year         = {{2017}},
}