Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate

Ahfaz Ahmed; Marco Mehl; Nitin Lokachari; Elna J.K. Nilsson; Alexander A. Konnov; Scott W. Wagnon; William J. Pitz; Henry J. Curran; William L. Roberts; Mani Sarathy

Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate

Ahfaz Ahmed, Marco Mehl, Nitin Lokachari, Elna J.K. Nilsson, Alexander A. Konnov, Scott W. Wagnon, William J. Pitz, Henry J. Curran, William L. Roberts, Mani Sarathy

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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.

Original language	English (US)
Title of host publication	11th Asia-Pacific Conference on Combustion
State	Published - Dec 14 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The authors at KAUST acknowledge funding support from Future Fuels Program.
The authors at NUI Galway recognize funding support from Science Foundation Ireland via their Principal Investigator Program through project number 15/IA/3177.
The work by authors at LLNL was performed under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344.
The authors at Lund University acknowledge financial support from the Centre for Combustion Science and Technology (CECOST), and Swedish Research Council (VR) via project 2015-04042.

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Ahmed, A., Mehl, M., Lokachari, N., Nilsson, E. J. K., Konnov, A. A., Wagnon, S. W., Pitz, W. J., Curran, H. J., Roberts, W. L., & Sarathy, M. (2017). Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate. In 11th Asia-Pacific Conference on Combustion https://repository.kaust.edu.sa/bitstream/10754/627077/1/ASPAC-2017-Ahfaz-for%20archive.pdf

@inproceedings{152b1cd189b2421a8d76fde6c717e672,

title = "Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate",

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.",

author = "Ahfaz Ahmed and Marco Mehl and Nitin Lokachari 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",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The authors at KAUST acknowledge funding support from Future Fuels Program. The authors at NUI Galway recognize funding support from Science Foundation Ireland via their Principal Investigator Program through project number 15/IA/3177. The work by authors at LLNL was performed under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344. The authors at Lund University acknowledge financial support from the Centre for Combustion Science and Technology (CECOST), and Swedish Research Council (VR) via project 2015-04042.",

year = "2017",

month = dec,

day = "14",

language = "English (US)",

booktitle = "11th Asia-Pacific Conference on Combustion",

}

TY - GEN

T1 - Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate

AU - Ahmed, Ahfaz

AU - Mehl, Marco

AU - Lokachari, Nitin

AU - Nilsson, Elna J.K.

AU - Konnov, Alexander A.

AU - Wagnon, Scott W.

AU - Pitz, William J.

AU - Curran, Henry J.

AU - Roberts, William L.

AU - Sarathy, Mani

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledgements: The authors at KAUST acknowledge funding support from Future Fuels Program. The authors at NUI Galway recognize funding support from Science Foundation Ireland via their Principal Investigator Program through project number 15/IA/3177. The work by authors at LLNL was performed under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344. The authors at Lund University acknowledge financial support from the Centre for Combustion Science and Technology (CECOST), and Swedish Research Council (VR) via project 2015-04042.

PY - 2017/12/14

Y1 - 2017/12/14

N2 - 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.

AB - 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.

UR - http://hdl.handle.net/10754/627077

UR - http://www.anz-combustioninstitute.org/local/papers/ASPACC2017/ASPACC11-TechnicalProgram-ver20171211.pdf

M3 - Conference contribution

BT - 11th Asia-Pacific Conference on Combustion

ER -

Kinetic Modelling and Experimental Study of Small Esters: Methyl Acetate and Ethyl Acetate

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