Detailed kinetic modeling of H2S formation during fuel-rich combustion of pulverized coal
Detailed kinetic modeling of H2S formation during fuel-rich combustion of pulverized coal
复制标题
煤粉富燃料燃烧过程中 H2S 形成的详细动力学模型
DOI：
10.1016/j.fuproc.2019.106276
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发表时间：
2020-03-01
影响因子：
7.5
通讯作者：
Zhao, Jun
中科院分区：
文献类型：
--
作者：
Ma, Honghe;Lv, Sichen;Zhao, Jun
通过管式炉实验和Chemkin动力学分析，对煤粉富燃料燃烧过程中H2S生成的动力学进行了详细的研究。一个新的详细的动力学模型，涉及34物种和115个反应的开发，重点是CS2作为源的H2S。利用实验数据对模型进行了验证，得到了H2-、CO、H2O、CO2、SO2、H2S、COS和CS2的浓度分布。敏感性分析表明，H_2S浓度对下列反应非常敏感：（2）H_2S + H = SH + H-_2，（89）SO_2 + CO = SO + CO_2，（104）COS + H_2O = H_2S + CO_2，（62）HOSO（+M）= H + SO_2（+M），（103）CS_2 + H_2O = H_2S + COS等。和SO是产生H2S的关键自由基。还进行了产率分析（ROP），这表明SH是H2S的最重要的前体。在详细的动力学模型和ROP分析的基础上，建立了H2S生成的简化反应路径。最后，将新模型与利兹大学硫化学模型进行了比较。这两个模型具有相同的关键自由基和四个主要的基元反应。主要的区别是，CS2是一个显着的来源H2S在我们的模型针对煤的燃烧，应给予特别关注。
The paper presents a detailed kinetic study on H2S formation during fuel-rich combustion of pulverized coal via tube furnace experiment and kinetic analysis with Chemkin. A new detailed kinetic model involving 34 species and 115 reactions was developed, with emphasis on CS2 as a source for H2S. The novel model was validated using experimental data with respect to the concentration distributions of H-2, CO, H2O, CO2, SO2, H2S, COS and CS2. Sensitivity analysis shows that H2S concentration was very sensitive to reactions (2) H2S + H = SH + H-2, (89) SO2 + CO = SO + CO2, (104) COS + H2O = H2S + CO2, (62) HOSO (+M) = H + SO2 (+M), (103) CS2 + H2O = H2S + COS, etc. Also, SH, S, and SO were the key free radicals for H2S production. Rate of production analysis (ROP) were also performed, which indicate that SH was the most important precursor of H2S. Based on the detailed kinetic model and ROP analysis, the simplified reaction path of H2S formation was constructed. Finally, the new model was compared with the Leeds University sulfur chemistry model. The two models have the same key free radicals and four major elementary reactions. The main difference is that CS2 was a notable source for H2S in our model targeted for coal combustion, and should be given special attention.