Methylcyclohexane pyrolysis and oxidation in a jet-stirred reactor

被引：45

作者：

Bissoonauth, Tony ^{[1
]}

Wang, Zhandong ^{[1
]}

Mohamed, Samah Y. ^{[1
]}

Wang, Jui-yang ^{[1
]}

Chen, Bingjie ^{[1
]}

Rodriguez, Anne ^{[2
]}

Frottier, Ophelie ^{[2
]}

Zhang, Xiaoyuan ^{[3
]}

Zhang, Yan ^{[3
]}

Cao, Chuangchuang ^{[3
]}

Yang, Juizhong ^{[3
]}

Herbinet, Olivier ^{[2
]}

Battin-Leclerc, Frederique ^{[2
]}

Sarathy, S. Mani ^{[1
]}

机构：

[1] KAUST, CCRC, Thuwal 239556900, Saudi Arabia

[2] Univ Lorraine, ENSIC, CNRS, Lab React & Genie Proc, 1 Rue Grandville,BP 20451, F-54001 Nancy, France

[3] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230029, Anhui, Peoples R China

来源：

PROCEEDINGS OF THE COMBUSTION INSTITUTE | 2019年 / 37卷 / 01期

关键词：

Low-temperature oxidation; Peroxides; Kinetic modeling; Synchrotron VUV photoionization mass spectrometry; Ignition delay time; LOW-TEMPERATURE OXIDATION; COMBUSTION; KINETICS; AUTOIGNITION; PATHWAYS; THERMODYNAMICS; IDENTIFICATION; CYCLOHEXANES; PRESSURE; IGNITION;

D O I：

10.1016/j.proci.2018.05.086

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Alkylated cycloalkanes are an important chemical class in conventional fuels. Methylcyclohexane (MCH) is a simple alkylated cycloalkane that is a potential candidate to represent the naphthenic content in transportation fuel surrogates. Detailed experimental speciation data for MCH gas-phase oxidation and pyrolysis is still lacking in the literature. This work investigates the high-temperature pyrolysis and low-temperature oxidation of MCH in a jet-stirred reactor. Under low-temperature conditions, highly oxygenated intermediate species indicative of "alternative isomerization" of hydroperoxyalkylperoxy (OOQOOH) radicals and the subsequent third sequential O-2 addition are presented. Furthermore, a detailed chemical kinetic model capable of predicting MCH combustion was developed using new thermodynamic group values and recently published rate coefficients. Alternative isomerization of OOQOOH radicals and third sequential O-2 addition pathways were incorporated into the reaction mechanism. Additionally, an approach for reducing the complexity of the MCH low-temperature chemical pathways has been investigated to limit the arduousness of developing kinetic models. The experimentally measured species concentration profiles at atmospheric pressure, equivalence ratios of 0.25, 1.0, 2, and infinity, and temperatures in the range of 500-1100 K were used to validate and improve the chemical kinetic model. The model was further tested against rapid compression machine ignition delay times taken from literature. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

引用

页码：409 / 417

页数：9

共 41 条

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