Autoignition studies of C5 isomers in a motored engine

Dongil Kang; Stanislav V. Bohac; André L. Boehman; Song Cheng; Yi Yang; Michael J. Brear

doi:10.1016/j.proci.2016.09.012

Autoignition studies of C5 isomers in a motored engine

Dongil Kang, Stanislav V. Bohac, André L. Boehman, Song Cheng, Yi Yang, Michael J. Brear

Research output: Journal article publication › Journal article › Academic research › peer-review

22 Citations (Scopus)

Abstract

The autoignition characteristics of n-pentane iso-pentane and neo-pentane were explored to improve the understanding of C5 autoignition chemistry and provide experimental data to guide improvements to a general hydrocarbon oxidation mechanism. The autoignition behavior of the C5 isomers were studied in a modified CFR engine at 120°C and 600 rpm to determine the critical compression ratio (CCR) at which hot ignition occurs. The engine compression ratio was gradually increased to find the CCR to the point where CO in the engine exhaust was quickly reduced and significant high temperature heat release was seen with a constant equivalence ratio. The calculated percentage of low temperature heat release showed a stronger two stage heat release for n-pentane than for neo-pentane at critical ignition conditions while a single stage heat release was observed for iso-pentane leading to the weakest overall oxidation reactivity among the three isomers. Major reaction paths forming conjugate alkenes and C₅ oxygenated species control the autoignition reactivity of n-pentane and iso-pentane within the low temperature and negative temperature coefficient regimes. Due to neo-pentane's unique molecular structure it does not produce conjugate alkenes instead it forms iso-butene to hinder its oxidation.

Original language	English
Pages (from-to)	3597-3604
Number of pages	8
Journal	Proceedings of the Combustion Institute
Volume	36
Issue number	3
DOIs	https://doi.org/10.1016/j.proci.2016.09.012
Publication status	Published - 2017
Externally published	Yes

Keywords

Autoignition
Low temperature oxidation
Motored engine
Pentane isomer

ASJC Scopus subject areas

General Chemical Engineering
Mechanical Engineering
Physical and Theoretical Chemistry

More information

10.1016/j.proci.2016.09.012

Cite this

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abstract = "The autoignition characteristics of n-pentane iso-pentane and neo-pentane were explored to improve the understanding of C5 autoignition chemistry and provide experimental data to guide improvements to a general hydrocarbon oxidation mechanism. The autoignition behavior of the C5 isomers were studied in a modified CFR engine at 120°C and 600 rpm to determine the critical compression ratio (CCR) at which hot ignition occurs. The engine compression ratio was gradually increased to find the CCR to the point where CO in the engine exhaust was quickly reduced and significant high temperature heat release was seen with a constant equivalence ratio. The calculated percentage of low temperature heat release showed a stronger two stage heat release for n-pentane than for neo-pentane at critical ignition conditions while a single stage heat release was observed for iso-pentane leading to the weakest overall oxidation reactivity among the three isomers. Major reaction paths forming conjugate alkenes and C5 oxygenated species control the autoignition reactivity of n-pentane and iso-pentane within the low temperature and negative temperature coefficient regimes. Due to neo-pentane's unique molecular structure it does not produce conjugate alkenes instead it forms iso-butene to hinder its oxidation.",

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AU - Brear, Michael J.

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AB - The autoignition characteristics of n-pentane iso-pentane and neo-pentane were explored to improve the understanding of C5 autoignition chemistry and provide experimental data to guide improvements to a general hydrocarbon oxidation mechanism. The autoignition behavior of the C5 isomers were studied in a modified CFR engine at 120°C and 600 rpm to determine the critical compression ratio (CCR) at which hot ignition occurs. The engine compression ratio was gradually increased to find the CCR to the point where CO in the engine exhaust was quickly reduced and significant high temperature heat release was seen with a constant equivalence ratio. The calculated percentage of low temperature heat release showed a stronger two stage heat release for n-pentane than for neo-pentane at critical ignition conditions while a single stage heat release was observed for iso-pentane leading to the weakest overall oxidation reactivity among the three isomers. Major reaction paths forming conjugate alkenes and C5 oxygenated species control the autoignition reactivity of n-pentane and iso-pentane within the low temperature and negative temperature coefficient regimes. Due to neo-pentane's unique molecular structure it does not produce conjugate alkenes instead it forms iso-butene to hinder its oxidation.

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Autoignition studies of C5 isomers in a motored engine

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