Detailed Reaction Mechanism for the Combustion of Hydrogen and Syngas

A detailed reaction mechanism for the oxidation of hydrogen and syngas in freely propagating and burner-stabilized premixed flames as well as shock-tube, jet-stirred reactor, and plug-flow reactor experiments is developed. The H2/CO kinetic model is validated against experimental data from literature which include 87 sets of laminar flame speed, 39 sets of ignition delay times from shock tubes, 16 sets species concentrations in JSRs, 27 sets of species concentrations in PFRs, 8 sets of species concentrations in BSF and 4 sets of species concentrations in shock tube experiments. The rate parameters adopted to develop the detailed chemical kinetic mechanism of H2 and CO is mostly based on the recommendations of Baulch et al. 2005 (Journal of Physical and Chemical Reference Data 34, 757 (2005). https://doi.org/10.1063/1.1748524). This mechanism was developed in parallel to the ammonia mechanism (Detailed Kinetic Mechanism for the Oxidation of Ammonia Including the Formation and Reduction of Nitrogen Oxides. Energ Fuels 2018;32:10202−10217. doi:10.1021/acs.energyfuels.8b01056).本研究构建了一套适用于自由传播火焰、燃烧器稳定预混火焰中氢气与合成气氧化过程的详细反应机理，覆盖激波管、射流搅拌反应器（jet-stirred reactor, JSR）、平推流反应器（plug-flow reactor, PFR）的相关实验场景。本H₂/CO动力学模型针对公开文献实验数据完成验证，涵盖87组层流火焰速度数据、39组激波管点火延迟时间数据、16组射流搅拌反应器物种浓度数据、27组平推流反应器物种浓度数据、8组燃烧器稳定火焰物种浓度数据，以及4组激波管实验物种浓度数据。本研究构建H₂与CO详细化学动力学机理所采用的速率参数，主要基于Baulch等人2005年发表于《物理与化学参考数据期刊》（"Journal of Physical and Chemical Reference Data"）第34卷第757页（2005年，https://doi.org/10.1063/1.1748524）的推荐方案。 该机理与包含氮氧化物生成与还原过程的氨氧化详细动力学机理（原文标题："Detailed Kinetic Mechanism for the Oxidation of Ammonia Including the Formation and Reduction of Nitrogen Oxides"，发表于《能源与燃料》（"Energ Fuels"）2018年第32卷：10202−10217，doi:10.1021/acs.energyfuels.8b01056）同步开发完成。