화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.33, No.10, 2869-2877, October, 2016
DOI10.1007/s11814-016-0153-z  Export Citation
Density functional theory study on Hg removal mechanisms of Cu-impregnated activated carbon prepared by simplified method
Yaming Fan, Yuqun Zhuo†, Zhenwu Zhu, Liangliang Li1, Qun Chen, and Yu Lou
  • Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Thermal Engineering, Tsinghua University, Beijing 100084, China
  • 1Key Laboratory of Advanced Materials, Department of Material Science and Engineering, Tsinghua University, Beijing 100084, China
E-mail:
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.
Keywords:One-step Preparation;Activated Carbon;Cu-impregnated;Hg Removal;Density Functional Theory
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