| 铬/氢/空气焚烧体系的动力学模拟 |
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| 引用本文： | 吕雪峰,于溯源.铬/氢/空气焚烧体系的动力学模拟[J].华北电力大学学报,2011,38(4):86-90. |
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| 作者姓名： | 吕雪峰 于溯源 |
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| 作者单位： | 1. 华北电力大学核科学与工程学院,北京,102206
2. 清华大学核能与新能源技术研究院,北京,100084 |
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| 基金项目： | 国家自然科学基金资助项目，中央高校基本科研业务费专项资金资助 |
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| 摘 要： | 通过量子化学理论和量子化学软件包Gaussian 03研究了铬/氢/空气焚烧动力学模型中反应的微观机理,并对现有铬/氢/空气体系的焚烧动力学模型进行修正,去掉了5个总包反应,增加了7个基元反应.焚烧动力学模拟结果表明,六价铬化合物主要以CrO2 (OH)2的形式在1000K到2200 K之间出现,在1 700K含量达最...
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| 关 键 词： | 铬 焚烧 动力学模型 微观机理 |
Simulation on the kinetics for Cr/H/Air incineration system |
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| LV Xue-feng,YU Su-yuan.Simulation on the kinetics for Cr/H/Air incineration system[J].Journal of North China Electric Power University,2011,38(4):86-90. |
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| Authors: | LV Xue-feng YU Su-yuan |
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| Abstract: | A primary Cr/H/Air reaction kinetic model is studied by Gaussian 03 code with quantum chemistry theory.Then,the kinetic model is corrected,five overall reactions are omitted from and seven elementary reactions are added in the model.Numerical results show that the hexavalent chromium compound CrO2(OH)2 appears from 1 000 K to 2 200 K,and reached its peak at about 1 700 K.Therefore,it is suggested that the practical industrial incineration avoid the temperature area around 1 700 K to reduce the production of hexavalent chromium. |
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| Keywords: | chromium incineration kinetic model reaction mechanism |
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