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Density functional theory study on Hg removal mechanisms of Cu-impregnated activated carbon prepared by simplified method

  • Environmental Engineering
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Abstract

The preparation of activated carbon sorbent for Hg removal was simplified by combining activation and functionalization processes into one step. Jujube-based carbon material was first mixed with CuCl2 solution and then activated for the preparation of Cu-impregnated activated carbon. Physical and chemical properties of prepared activated carbon were investigated by means of N2 adsorption, SEM-EDS, XRD. A fixed-bed reactor with CEMS (Continuous emission monitoring system) was used to test the Hg adsorption ability of prepared activated carbon. DFT (Density functional theory) method of computational chemistry calculation was applied to identify the Hg adsorption mechanisms on sorbent surface.

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Authors and Affiliations

  1. Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing, 100084, China

    Yaming Fan, Yuqun Zhuo, Zhenwu Zhu, Qun Chen & Yu Lou

  2. Key Laboratory of advanced materials, Department of Material Science and Engineering, Tsinghua University, Beijing, 100084, China

    Liangliang Li

Authors
  1. Yaming Fan
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  2. Yuqun Zhuo
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  3. Zhenwu Zhu
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  4. Liangliang Li
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  5. Qun Chen
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  6. Yu Lou
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Correspondence to Yuqun Zhuo.

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Fan, Y., Zhuo, Y., Zhu, Z. et al. Density functional theory study on Hg removal mechanisms of Cu-impregnated activated carbon prepared by simplified method. Korean J. Chem. Eng. 33, 2869–2877 (2016). https://doi.org/10.1007/s11814-016-0153-z

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  • DOI: https://doi.org/10.1007/s11814-016-0153-z

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