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Hg在Pd掺杂的CeO2表面吸附和脱除

孟帅琦 ,  周劲松 ,  王小龙 ,  高翔 ,  骆仲泱

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引用本文: 孟帅琦, 周劲松, 王小龙, 高翔, 骆仲泱. Hg在Pd掺杂的CeO2表面吸附和脱除[J]. 应用化学, 2016, 33(8): 960-967. doi: 10.11944/j.issn.1000-0518.2016.08.150359 shu
Citation:  MENG Shuaiqi, ZHOU Jinsong, WANG Xiaolong, GAO Xiang, LUO Zhongyang. Adsorption and Removal of Hg on Pd Doped CeO2 Surfaces[J]. Chinese Journal of Applied Chemistry, 2016, 33(8): 960-967. doi: 10.11944/j.issn.1000-0518.2016.08.150359 shu

Hg在Pd掺杂的CeO2表面吸附和脱除

  • 1.

    浙江大学能源清洁利用国家重点实验室 杭州 310027

    • 通讯作者: 周劲松,教授; Tel/Fax:0571-87952041; E-mail:zhoujs@zju.edu.cn; 研究方向:煤的清洁燃烧、生物质能的综合利用
  • 基金项目:

    国家自然科学基金（51576173,51176171) 

    国家环境保护公益性行业科研专项（201309018）资助 

摘要: 基于密度泛函理论对Hg在纯CeO2表面的吸附机理进行了理论计算，采用p（3×3）的二维超晶胞模型计算了CeO2 3个不同表面上不同位点对汞的吸附能，计算结果表明，Hg在纯CeO2表面吸附能力较弱，为物理吸附，Hg原子与CeO2未形成有效化学键。为了进一步研究Hg在CeO2表面的吸附机理，计算了Hg在Pd掺杂的CeO2（Pd-CeO2）表面的吸附机理，结果表明，Hg在Pd-CeO2表面吸附能较强，为化学吸附，Hg原子与Pd-CeO2之间形成有效的化学键，说明Pd的掺杂有利于提高CeO2对汞的吸附能力。为了量化纯CeO2和Pd-CeO2的汞脱除效率，对Hg在纯CeO2和Pd-CeO2表面的脱除进行了实验研究。实验结果表明，纯CeO2对汞的脱除效率较低，贵金属Pd的掺杂能够有效提高CeO2的汞脱除效率，与理论计算的结果相符。

English

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  • 收稿日期:  2015-10-10
  • 网络出版日期:  2016-05-10
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