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Mechanistic Study of Catalysis on the Decomposition of N_2O

机译：N_2O分解催化的机械研究

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摘要

Experiments were carried out studying the catalytic behavior of CaO on the thermal decomposition of N2O. CaO was found to catalyze N2O decomposition and the decomposition ratio was sensitive to reaction temperature. The catalytic mechanism was further explained by Density Functional Theory with generalized gradient approximation method from a microscopic point of view. The electronic properties of CaO (100) surfaces was studied, and the catalytic activity of different active sites on CaO (100) surface was investigated. N2O adsorption and decomposition processes were determined by studying the adsorption and interaction between the N2O molecule and CaO (100) surface. The O site of the CaO (100) surface was found to be of higher reactivity toward decomposing N2O where an adsorbed O species can be formed by the decomposition of N2O molecule. The adsorbed O species shows high activity in reacting with N2O molecule and thus facilitates N2O decomposition on the surface.
机译：进行实验，研究CaO对N 2 O的热分解的催化作用。发现CaO催化N2O分解，分解比对反应温度敏感。通过微观的观点来进一步用密度泛的梯度近似方法进一步解释催化机制。研究了CaO（100）表面的电子性质，研究了CaO（100）表面上不同活性位点的催化活性。通过研究N2O分子和CaO（100）表面之间的吸附和相互作用来确定N2O吸附和分解过程。发现CaO（100）表面的O位点对分解N2O的反应性更高，其中吸附的O物质可以通过N2O分子的分解形成。吸附的O物种在与N2O分子反应中显示出高活性，从而有助于在表面上进行N2O分解。

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  • 来源
    《Environmental Engineering Science》 |2014年第6期|308-316|共9页
  • 作者

    Hu Xiaoying; Wu Lingnan; Ju Shaoda; Dong Changqing; Yang Yongping; Qin Wu;

  • 作者单位

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China|Minist Educ Key Lab Energy Thermal Convers & Control Nanjing Jiangsu Peoples R China;

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China|North China Elect Power Univ Sch Energy Power & Mech Engn Beijing 102206 Peoples R China;

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China;

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China;

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China;

    North China Elect Power Univ Natl Engn Lab Biomass Power Generat Equipment Beijing 102206 Peoples R China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    CaO (100); N2O; adsorption; circulating fluidized bed; CFB; decomposition; density functional theory;

    机译：CAO（100）;N2O;吸附;循环流化床;CFB;分解;密度函数理论;

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