Comprehensive description of chemistry in combustion modeling

Chung K. Law

doi:10.1080/00102200590926905

Comprehensive description of chemistry in combustion modeling

Chung K. Law

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

22 Scopus citations

Abstract

A method for the simplification of combustion reaction mechanism with out sacrificing comprehensiveness is demonstrated for a detailed ethylene oxidation mechanism. It is shown that the mechanism can be simplified through the application of the directed relation graph, to a skeletal mechanism that consists only 33 species and 205 elementary reactions. This skeletal mechanism is further simplified to a reduced mechanism that consists only 21 species and 16 lumped reactions. It is demonstrated that these two mechanisms mimic closely and comprehensively the detailed mechanism for the homogeneous phenomena of perfectly stirred reactor and auto-ignition.

Original language	English (US)
Pages (from-to)	845-870
Number of pages	26
Journal	Combustion science and technology
Volume	177
Issue number	5-6
DOIs	https://doi.org/10.1080/00102200590926905
State	Published - May 2005

All Science Journal Classification (ASJC) codes

Chemistry(all)
Chemical Engineering(all)
Fuel Technology
Energy Engineering and Power Technology
Physics and Astronomy(all)

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10.1080/00102200590926905

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title = "Comprehensive description of chemistry in combustion modeling",

abstract = "A method for the simplification of combustion reaction mechanism with out sacrificing comprehensiveness is demonstrated for a detailed ethylene oxidation mechanism. It is shown that the mechanism can be simplified through the application of the directed relation graph, to a skeletal mechanism that consists only 33 species and 205 elementary reactions. This skeletal mechanism is further simplified to a reduced mechanism that consists only 21 species and 16 lumped reactions. It is demonstrated that these two mechanisms mimic closely and comprehensively the detailed mechanism for the homogeneous phenomena of perfectly stirred reactor and auto-ignition.",

author = "Law, {Chung K.}",

note = "Funding Information: Received 14 January 2004; accepted 11 May 2004. The continuing support of the author{\textquoteright}s research in combustion chemistry by the Air Force Office of Scientific Research under the technical monitoring of Dr. Julian M. Tishkoff is gratefully acknowledged. The assistance of Dr. Tianfeng Lu in the preparation of this manuscript is also very much appreciated. Address correspondence to cklaw@princeton.edu",

year = "2005",

month = may,

doi = "10.1080/00102200590926905",

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pages = "845--870",

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publisher = "Taylor and Francis Ltd.",

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T1 - Comprehensive description of chemistry in combustion modeling

AU - Law, Chung K.

N1 - Funding Information: Received 14 January 2004; accepted 11 May 2004. The continuing support of the author’s research in combustion chemistry by the Air Force Office of Scientific Research under the technical monitoring of Dr. Julian M. Tishkoff is gratefully acknowledged. The assistance of Dr. Tianfeng Lu in the preparation of this manuscript is also very much appreciated. Address correspondence to cklaw@princeton.edu

PY - 2005/5

Y1 - 2005/5

N2 - A method for the simplification of combustion reaction mechanism with out sacrificing comprehensiveness is demonstrated for a detailed ethylene oxidation mechanism. It is shown that the mechanism can be simplified through the application of the directed relation graph, to a skeletal mechanism that consists only 33 species and 205 elementary reactions. This skeletal mechanism is further simplified to a reduced mechanism that consists only 21 species and 16 lumped reactions. It is demonstrated that these two mechanisms mimic closely and comprehensively the detailed mechanism for the homogeneous phenomena of perfectly stirred reactor and auto-ignition.

AB - A method for the simplification of combustion reaction mechanism with out sacrificing comprehensiveness is demonstrated for a detailed ethylene oxidation mechanism. It is shown that the mechanism can be simplified through the application of the directed relation graph, to a skeletal mechanism that consists only 33 species and 205 elementary reactions. This skeletal mechanism is further simplified to a reduced mechanism that consists only 21 species and 16 lumped reactions. It is demonstrated that these two mechanisms mimic closely and comprehensively the detailed mechanism for the homogeneous phenomena of perfectly stirred reactor and auto-ignition.

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EP - 870

JO - Combustion science and technology

JF - Combustion science and technology

IS - 5-6

ER -

Comprehensive description of chemistry in combustion modeling

Abstract

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