A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

Daniel Darcy; Colin J. Tobin; Kenji Yasunaga; John M. Simmie; Judith Würmel; Wayne K. Metcalfe; Tidjani Niass; Syed S. Ahmed; Charles K. Westbrook; Henry J. Curran

doi:10.1016/j.combustflame.2012.02.009

A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

Daniel Darcy, Colin J. Tobin, Kenji Yasunaga, John M. Simmie, Judith Würmel, Wayne K. Metcalfe, Tidjani Niass, Syed S. Ahmed, Charles K. Westbrook, Henry J. Curran

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

86 Citations (Scopus)

Abstract

Ignition delay times have been measured for mixtures of n-propylbenzene in air (≈21% O ₂, ≈79% N ₂) at equivalence ratios of 0.29, 0.48, 0.96 and 1.92 and at reflected shock pressures of 1, 10 and 30atm in a heated high-pressure shock tube over a wide temperature range (1000-1600K). The effects of reflected shock pressure and of equivalence ratio on ignition delay time were determined and common trends highlighted. Simulations were carried out using the n-propylbenzene sub-mechanism contained in an n-butylbenzene reaction mechanism available in the literature. This kinetic model was improved by including pressure dependent reactions which were not in place previously and the addition of the NUI Galway C ₀-C ₄ sub-mechanism. These simulations showed very good agreement with the experimental data. Additionally a comparison is made with experimental data previously obtained and published for n-butylbenzene over the same range of conditions and common trends are highlighted.

Original language	English
Pages (from-to)	2219-2232
Number of pages	14
Journal	Combustion and Flame
Volume	159
Issue number	7
DOIs	https://doi.org/10.1016/j.combustflame.2012.02.009
Publication status	Published - Jul 2012
Externally published	Yes

Keywords

Butylbenzene
Ignition
Ignition delay times
Oxidation
Propylbenzene
Shock tube

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10.1016/j.combustflame.2012.02.009

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title = "A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene",

abstract = "Ignition delay times have been measured for mixtures of n-propylbenzene in air (≈21% O 2, ≈79% N 2) at equivalence ratios of 0.29, 0.48, 0.96 and 1.92 and at reflected shock pressures of 1, 10 and 30atm in a heated high-pressure shock tube over a wide temperature range (1000-1600K). The effects of reflected shock pressure and of equivalence ratio on ignition delay time were determined and common trends highlighted. Simulations were carried out using the n-propylbenzene sub-mechanism contained in an n-butylbenzene reaction mechanism available in the literature. This kinetic model was improved by including pressure dependent reactions which were not in place previously and the addition of the NUI Galway C 0-C 4 sub-mechanism. These simulations showed very good agreement with the experimental data. Additionally a comparison is made with experimental data previously obtained and published for n-butylbenzene over the same range of conditions and common trends are highlighted.",

keywords = "Butylbenzene, Ignition, Ignition delay times, Oxidation, Propylbenzene, Shock tube",

author = "Daniel Darcy and Tobin, {Colin J.} and Kenji Yasunaga and Simmie, {John M.} and Judith W{\"u}rmel and Metcalfe, {Wayne K.} and Tidjani Niass and Ahmed, {Syed S.} and Westbrook, {Charles K.} and Curran, {Henry J.}",

year = "2012",

month = jul,

doi = "10.1016/j.combustflame.2012.02.009",

language = "English",

volume = "159",

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journal = "Combustion and Flame",

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T1 - A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

AU - Darcy, Daniel

AU - Tobin, Colin J.

AU - Yasunaga, Kenji

AU - Simmie, John M.

AU - Würmel, Judith

AU - Metcalfe, Wayne K.

AU - Niass, Tidjani

AU - Ahmed, Syed S.

AU - Westbrook, Charles K.

AU - Curran, Henry J.

PY - 2012/7

Y1 - 2012/7

N2 - Ignition delay times have been measured for mixtures of n-propylbenzene in air (≈21% O 2, ≈79% N 2) at equivalence ratios of 0.29, 0.48, 0.96 and 1.92 and at reflected shock pressures of 1, 10 and 30atm in a heated high-pressure shock tube over a wide temperature range (1000-1600K). The effects of reflected shock pressure and of equivalence ratio on ignition delay time were determined and common trends highlighted. Simulations were carried out using the n-propylbenzene sub-mechanism contained in an n-butylbenzene reaction mechanism available in the literature. This kinetic model was improved by including pressure dependent reactions which were not in place previously and the addition of the NUI Galway C 0-C 4 sub-mechanism. These simulations showed very good agreement with the experimental data. Additionally a comparison is made with experimental data previously obtained and published for n-butylbenzene over the same range of conditions and common trends are highlighted.

AB - Ignition delay times have been measured for mixtures of n-propylbenzene in air (≈21% O 2, ≈79% N 2) at equivalence ratios of 0.29, 0.48, 0.96 and 1.92 and at reflected shock pressures of 1, 10 and 30atm in a heated high-pressure shock tube over a wide temperature range (1000-1600K). The effects of reflected shock pressure and of equivalence ratio on ignition delay time were determined and common trends highlighted. Simulations were carried out using the n-propylbenzene sub-mechanism contained in an n-butylbenzene reaction mechanism available in the literature. This kinetic model was improved by including pressure dependent reactions which were not in place previously and the addition of the NUI Galway C 0-C 4 sub-mechanism. These simulations showed very good agreement with the experimental data. Additionally a comparison is made with experimental data previously obtained and published for n-butylbenzene over the same range of conditions and common trends are highlighted.

KW - Butylbenzene

KW - Ignition

KW - Ignition delay times

KW - Oxidation

KW - Propylbenzene

KW - Shock tube

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DO - 10.1016/j.combustflame.2012.02.009

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SN - 0010-2180

VL - 159

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JO - Combustion and Flame

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IS - 7

ER -

A high pressure shock tube study of n-propylbenzene oxidation and its comparison with n-butylbenzene

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Keywords

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