A counterflow diffusion flame study of lightly methylated alkanes

S. M. Sarathy; Charles Westbrook; C. Yeung; U. Niemann; M. Plomer; Z. Luo; M. Mehl; W. J. Pitz; K. Seshadri; M. J. Thomson; T. Lu

A counterflow diffusion flame study of lightly methylated alkanes

S. M. Sarathy, Charles Westbrook, C. Yeung, U. Niemann, M. Plomer, Z. Luo, M. Mehl, W. J. Pitz, K. Seshadri, M. J. Thomson, T. Lu

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

Abstract

Fischer-Tropsch (FT) fuels derived from biomass syngas are renewable fuels that can replace conventional petroleum fuels in jet engine and diesel engine applications. FT fuels typically contain a high concentration of lightly methylated iso-alkanes, whereas petroleum derived jet and diesel fuels contain large fractions of n-alkanes, cycloalkanes, and aromatics plus some lightly methylated iso-alkanes. In order to better understand the combustion characteristics of FT and petroleum fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a novel detailed chemical kinetic model. Additionally, a recently developed mechanism reduction algorithm, i.e., directed relation graph with expert knowledge (DRG-X), is used to generate a skeletal model with adequate chemical fidelity to well predict detailed speciation profiles. The proposed detailed and reduced models show good qualitative and quantitative agreement with the experimental data. The predicted concentrations of species are compared with newly measured and previously obtained data on n-octane and 2-methylheptane to elucidate the effects of methyl branch location and number.

Original language	English (US)
Title of host publication	Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting
Publisher	Western States Section/Combustion Institute
Pages	352-361
Number of pages	10
ISBN (Electronic)	9781618393043
State	Published - 2011
Externally published	Yes
Event	Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 - Riverside, United States Duration: Oct 17 2011 → Oct 18 2011

Publication series

Name	Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting

Other

Other	Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011
Country/Territory	United States
City	Riverside
Period	10/17/11 → 10/18/11

Bibliographical note

Publisher Copyright:
Copyright © 2011 by the Western States Section/Combustion Institute All rights reserved.

ASJC Scopus subject areas

General Chemical Engineering
Physical and Theoretical Chemistry
Mechanical Engineering

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Cite this

Sarathy, S. M., Westbrook, C., Yeung, C., Niemann, U., Plomer, M., Luo, Z., Mehl, M., Pitz, W. J., Seshadri, K., Thomson, M. J., & Lu, T. (2011). A counterflow diffusion flame study of lightly methylated alkanes. In Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting (pp. 352-361). (Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting). Western States Section/Combustion Institute.

Sarathy, S. M. ; Westbrook, Charles ; Yeung, C. et al. / A counterflow diffusion flame study of lightly methylated alkanes. Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting. Western States Section/Combustion Institute, 2011. pp. 352-361 (Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting).

@inproceedings{facba70c7e854ad396b463b06566f8fd,

title = "A counterflow diffusion flame study of lightly methylated alkanes",

abstract = "Fischer-Tropsch (FT) fuels derived from biomass syngas are renewable fuels that can replace conventional petroleum fuels in jet engine and diesel engine applications. FT fuels typically contain a high concentration of lightly methylated iso-alkanes, whereas petroleum derived jet and diesel fuels contain large fractions of n-alkanes, cycloalkanes, and aromatics plus some lightly methylated iso-alkanes. In order to better understand the combustion characteristics of FT and petroleum fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a novel detailed chemical kinetic model. Additionally, a recently developed mechanism reduction algorithm, i.e., directed relation graph with expert knowledge (DRG-X), is used to generate a skeletal model with adequate chemical fidelity to well predict detailed speciation profiles. The proposed detailed and reduced models show good qualitative and quantitative agreement with the experimental data. The predicted concentrations of species are compared with newly measured and previously obtained data on n-octane and 2-methylheptane to elucidate the effects of methyl branch location and number.",

author = "Sarathy, {S. M.} and Charles Westbrook and C. Yeung and U. Niemann and M. Plomer and Z. Luo and M. Mehl and Pitz, {W. J.} and K. Seshadri and Thomson, {M. J.} and T. Lu",

note = "Publisher Copyright: Copyright {\textcopyright} 2011 by the Western States Section/Combustion Institute All rights reserved.; Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 ; Conference date: 17-10-2011 Through 18-10-2011",

year = "2011",

language = "English (US)",

series = "Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting",

publisher = "Western States Section/Combustion Institute",

pages = "352--361",

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}

Sarathy, SM, Westbrook, C, Yeung, C, Niemann, U, Plomer, M, Luo, Z, Mehl, M, Pitz, WJ, Seshadri, K, Thomson, MJ & Lu, T 2011, A counterflow diffusion flame study of lightly methylated alkanes. in Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting. Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting, Western States Section/Combustion Institute, pp. 352-361, Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011, Riverside, United States, 10/17/11.

A counterflow diffusion flame study of lightly methylated alkanes. / Sarathy, S. M.; Westbrook, Charles; Yeung, C. et al.
Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting. Western States Section/Combustion Institute, 2011. p. 352-361 (Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting).

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

TY - GEN

T1 - A counterflow diffusion flame study of lightly methylated alkanes

AU - Sarathy, S. M.

AU - Westbrook, Charles

AU - Yeung, C.

AU - Niemann, U.

AU - Plomer, M.

AU - Luo, Z.

AU - Mehl, M.

AU - Pitz, W. J.

AU - Seshadri, K.

AU - Thomson, M. J.

AU - Lu, T.

PY - 2011

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N2 - Fischer-Tropsch (FT) fuels derived from biomass syngas are renewable fuels that can replace conventional petroleum fuels in jet engine and diesel engine applications. FT fuels typically contain a high concentration of lightly methylated iso-alkanes, whereas petroleum derived jet and diesel fuels contain large fractions of n-alkanes, cycloalkanes, and aromatics plus some lightly methylated iso-alkanes. In order to better understand the combustion characteristics of FT and petroleum fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a novel detailed chemical kinetic model. Additionally, a recently developed mechanism reduction algorithm, i.e., directed relation graph with expert knowledge (DRG-X), is used to generate a skeletal model with adequate chemical fidelity to well predict detailed speciation profiles. The proposed detailed and reduced models show good qualitative and quantitative agreement with the experimental data. The predicted concentrations of species are compared with newly measured and previously obtained data on n-octane and 2-methylheptane to elucidate the effects of methyl branch location and number.

AB - Fischer-Tropsch (FT) fuels derived from biomass syngas are renewable fuels that can replace conventional petroleum fuels in jet engine and diesel engine applications. FT fuels typically contain a high concentration of lightly methylated iso-alkanes, whereas petroleum derived jet and diesel fuels contain large fractions of n-alkanes, cycloalkanes, and aromatics plus some lightly methylated iso-alkanes. In order to better understand the combustion characteristics of FT and petroleum fuels, this study presents new experimental data for 3-methylheptane and 2,5-dimethylhexane in counterflow diffusion flames. This new dataset includes flame ignition, extinction, and speciation profiles. The high temperature oxidation of these fuels has been modeled using an extended transport database and a novel detailed chemical kinetic model. Additionally, a recently developed mechanism reduction algorithm, i.e., directed relation graph with expert knowledge (DRG-X), is used to generate a skeletal model with adequate chemical fidelity to well predict detailed speciation profiles. The proposed detailed and reduced models show good qualitative and quantitative agreement with the experimental data. The predicted concentrations of species are compared with newly measured and previously obtained data on n-octane and 2-methylheptane to elucidate the effects of methyl branch location and number.

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M3 - Conference contribution

AN - SCOPUS:84943565150

T3 - Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting

SP - 352

EP - 361

BT - Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting

PB - Western States Section/Combustion Institute

T2 - Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011

Y2 - 17 October 2011 through 18 October 2011

ER -

Sarathy SM, Westbrook C, Yeung C, Niemann U, Plomer M, Luo Z et al. A counterflow diffusion flame study of lightly methylated alkanes. In Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting. Western States Section/Combustion Institute. 2011. p. 352-361. (Fall Technical Meeting of the Western States Section of the Combustion Institute 2011, WSS/CI 2011 Fall Meeting).

A counterflow diffusion flame study of lightly methylated alkanes

Abstract

Publication series

Other

Bibliographical note

ASJC Scopus subject areas

UN SDGs

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