Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study
Kinetics of ethylcyclohexane pyrolysis and oxidation: An experimental and detailed kinetic modeling study
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乙基环己烷热解和氧化的动力学：实验和详细的动力学模型研究
DOI：
10.1016/j.combustflame.2015.03.017
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发表时间：
2015-07
影响因子：
4.4
通讯作者：
Qi, Fei
中科院分区：
文献类型：
--
作者：
Zhang, Feng;Li, Yuyang;Sarathy, S. Mani;Qi, Fei
乙基环己烷（ECH）是长烷基侧链环烷烃的模型化合物。对ECH的初步研究（Wang等人，程序燃烧。仪器：35，2015，367-375）揭示了需要具有详细燃料消耗机制和芳族生长途径的准确ECH动力学模型，以及具有覆盖宽压力和温度范围的详细物质浓度的附加ECH热解和氧化数据，以理解ECH燃烧动力学。在这项工作中，流动反应器中的ECH在不同的压力（30，150和760托）的热解进行了研究，使用同步辐射真空紫外（VUV）光电离质谱（PIMS）和气相色谱（GC）。的摩尔分数分布的许多主要和次要的物种进行了评估，并观察到良好的协议之间的PIMS和GC数据集。此外，富燃料燃烧器稳定的层流预混ECH/O2/Ar火焰在30托使用同步辐射真空紫外PIMS进行了研究。详细的动力学模型ECH高温热解和氧化的开发和验证对热解和火焰数据进行这项工作。进一步验证的动力学模型对文献数据，包括物种浓度在射流搅拌反应器氧化，点火延迟时间在激波管，层流火焰速度在不同的压力和当量比。该模型很好地预测了ECH的消费，芳烃的增长，和全球的燃烧性能。利用反应通量和灵敏度分析方法研究了不同反应条件下ECH燃烧的化学动力学特征。
Ethylcyclohexane (ECH) is a model compound for cycloalkanes with long alkyl side-chains. A preliminary investigation on ECH (Wang et al., Proc. Combust. Inst., 35, 2015, 367–375) revealed that an accurate ECH kinetic model with detailed fuel consumption mechanism and aromatic growth pathways, as well as additional ECH pyrolysis and oxidation data with detailed species concentration covering a wide pressure and temperature range are required to understand the ECH combustion kinetics. In this work, the flow reactor pyrolysis of ECH at various pressures (30, 150 and 760 Torr) was studied using synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (PIMS) and gas chromatography (GC). The mole fraction profiles of numerous major and minor species were evaluated, and good agreement was observed between the PIMS and GC data sets. Furthermore, a fuel-rich burner-stabilized laminar premixed ECH/O2/Ar flame at 30 Torr was studied using synchrotron VUV PIMS. A detailed kinetic model for ECH high temperature pyrolysis and oxidation was developed and validated against the pyrolysis and flame data performed in this work. Further validation of the kinetic model is presented against literature data including species concentrations in jet-stirred reactor oxidation, ignition delay times in a shock tube, and laminar flame speeds at various pressures and equivalence ratios. The model well predicts the consumption of ECH, the growth of aromatics, and the global combustion properties. Reaction flux and sensitivity analysis were utilized to elucidate chemical kinetic features of ECH combustion under various reaction conditions.
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影响因子：
4.4
作者：
Serinyel, Zeynep;Herbinet, Olivier;Frottier, Ophelie;Dirrenberger, Patricia;Warth, Valerie;Glaude, Pierre Alexandre;Battin-Leclerc, Frederique
通讯作者：
Battin-Leclerc, Frederique
影响因子：
1.8
作者：
Mingfeng Xie;Zhong-Pin Zhou;Zhandong Wang;Dongna Chen;F. Qi
通讯作者：
Mingfeng Xie;Zhong-Pin Zhou;Zhandong Wang;Dongna Chen;F. Qi
DOI：
10.4271/2007-01-0201
发表时间：
2007-04
期刊：
--
影响因子：
--
作者：
J. Farrell;N. Cernansky;F. Dryer;C. Law;D. Friend;C. Hergart;R. McDavid;A. K. Patel;C. Mueller-C
通讯作者：
J. Farrell;N. Cernansky;F. Dryer;C. Law;D. Friend;C. Hergart;R. McDavid;A. K. Patel;C. Mueller-C
DOI：
10.1016/j.proci.2014.05.119
发表时间：
2015
期刊：
--
影响因子：
--
作者：
Zhandong Wang;Huiting Bian;Yu Wang;Lidong Zhang;Yuyang Li;Feng Zhang;F. Qi
通讯作者：
Zhandong Wang;Huiting Bian;Yu Wang;Lidong Zhang;Yuyang Li;Feng Zhang;F. Qi
影响因子：
4.4
作者：
Montgomery, JA;Frisch, MJ;Petersson, GA
通讯作者：
Petersson, GA