Experimental and kinetic model studies of 2,3-dimethylhexane pyrolysis at atmospheric pressure

IF 5.8 2区工程技术 Q2 ENERGY & FUELS

Combustion and Flame Pub Date : 2024-10-17 DOI:10.1016/j.combustflame.2024.113781

Jinzeng Pan , Jinyu Tan , Shiling Wei , Shuyao Chen , Haikun Lang , Fangping Bin , Zhandong Wang , Lixia Wei

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引用次数: 0

Abstract

Isomers of alkanes have a significant effect on their combustion performance. In order to better understand the effect of the number of methyl side chains on fuel performance, the pyrolysis experiments of 2,3-dimethylhexane (C₈H₁₈–23) were carried out by using a jet-stirred reactor and the synchrotron vacuum ultraviolet photoionization mass spectrometry at 770 - 1130 K and at atmospheric pressure. Key pyrolysis products, such as acetylene, ethylene, propene, 1,3-butadiene, 2-butene, 1-pentene, 2-methyl-2-butene, 2-methyl-2-hexene, 3-methyl-2-hexene, as well as benzene, styrene and naphthalene, etc., were identified and measured. A detailed kinetic model of C₈H₁₈–23 pyrolysis, including 1756 species and 6023 reactions, was constructed and validated against the experimental results in the present work. Rate of production and sensitivity analysis of C₈H₁₈–23 showed that the major consumption pathways are H-abstractions and unimolecular dissociation reactions, with the highest contributions from those at/between C(2) and C(3) atoms. Theoretical comparison of the pyrolysis of the three isomers of C₈H₁₈ hydrocarbon, i.e., C₈H₁₈–23, 2-methylheptane and n-octane, shows that with increasing of the number of methyl side chains, C₈H₁₈ will be more reactive in pyrolysis and be more effective in producing soot precursors.

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常压下 2,3-二甲基己烷热解的实验和动力学模型研究

烷烃的异构体对其燃烧性能有很大影响。为了更好地了解甲基侧链数量对燃料性能的影响，在 770 - 1130 K 和大气压力下，利用喷射搅拌反应器和同步辐射真空紫外光离子化质谱仪对 2,3 二甲基己烷（C8H18-23）进行了热解实验。对乙炔、乙烯、丙烯、1,3-丁二烯、2-丁烯、1-戊烯、2-甲基-2-丁烯、2-甲基-2-己烯、3-甲基-2-己烯以及苯、苯乙烯和萘等主要热解产物进行了鉴定和测定。本研究建立了 C8H18-23 热解的详细动力学模型，包括 1756 个物种和 6023 个反应，并根据实验结果进行了验证。C8H18-23 的生成率和灵敏度分析表明，主要的消耗途径是 H-萃取和单分子解离反应，其中 C（2）原子和 C（3）原子之间的反应贡献最大。对 C8H18 的三种异构体（即 C8H18-23、2-甲基庚烷和正辛烷）的热解进行的理论比较表明，随着甲基侧链数量的增加，C8H18 在热解中的反应性更强，产生烟尘前体的效果更好。

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来源期刊

Combustion and Flame 工程技术-工程：化工

CiteScore

9.50

自引率

20.50%

发文量

631

审稿时长

3.8 months

期刊介绍： The mission of the journal is to publish high quality work from experimental, theoretical, and computational investigations on the fundamentals of combustion phenomena and closely allied matters. While submissions in all pertinent areas are welcomed, past and recent focus of the journal has been on: Development and validation of reaction kinetics, reduction of reaction mechanisms and modeling of combustion systems, including: Conventional, alternative and surrogate fuels; Pollutants; Particulate and aerosol formation and abatement; Heterogeneous processes. Experimental, theoretical, and computational studies of laminar and turbulent combustion phenomena, including: Premixed and non-premixed flames; Ignition and extinction phenomena; Flame propagation; Flame structure; Instabilities and swirl; Flame spread; Multi-phase reactants. Advances in diagnostic and computational methods in combustion, including: Measurement and simulation of scalar and vector properties; Novel techniques; State-of-the art applications. Fundamental investigations of combustion technologies and systems, including: Internal combustion engines; Gas turbines; Small- and large-scale stationary combustion and power generation; Catalytic combustion; Combustion synthesis; Combustion under extreme conditions; New concepts.