Development of a reaction mechanism for predicting hydrogen production from homogeneous decompositio
Development of a reaction mechanism for predicting hydrogen production from homogeneous decompositio
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DOI：
10.1016/j.ijhydene.2010.12.002
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发表时间：
2011-02
期刊：
影响因子：
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通讯作者：
Maryam Younessi Sinaki;E. Matida;F. Hamdullahpur
中科院分区：
文献类型：
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作者：
Maryam Younessi Sinaki;E. Matida;F. Hamdullahpur
本文提出了一种甲烷裂解制氢的反应机理模型。对几种燃烧机理下烃类的热解进行了实验比较，得到了该机理下的基元反应。然后进行一些修改以减少在高停留时间下观察到的大误差。进行灵敏度分析，以找到最大的影响，对氢气的生产和它们的速率常数的变化，通过使用其他机制，以获得最低的误差在氢气的生产相比，实验数据的反应。这项研究表明，修改甲烷解离为氢和甲基自由基的反应的速率常数，以及从炔丙基自由基形成苯对改善结果具有最高的效果。新机制将现有模型引入的预测氢气产量的误差减少了15%，具体取决于停留时间和温度水平。
In this paper, a reaction mechanism is developed to model the kinetics of hydrogen production from decomposition of methane. The pyrolysis of hydrocarbons from several combustion mechanisms is compared with experiment to obtain the elementary reactions of this mechanism. Some modifications are then made to reduce the large errors observed at a high residence time. Sensitivity analysis is performed to find the reactions with the highest effect on hydrogen production and their rate constants are changed by using other mechanisms to obtain the lowest error in hydrogen production compared to experimental data. This study shows that modifying the rate constants of the reactions of dissociation of methane to hydrogen and methyl radicals, and the formation of benzene from propargyl radicals have the highest effect on improving the results. The new mechanism reduces the error introduced from existing models for predicting the amount of hydrogen production up to 15%, depending on residence time and temperature levels.