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作者:

Xu, Ruinian (Xu, Ruinian.) | Dai, Chengna (Dai, Chengna.) | Mu, Mingli (Mu, Mingli.) | Cheng, Jun (Cheng, Jun.) | Lei, Zhigang (Lei, Zhigang.) | Wu, Bin (Wu, Bin.) | Liu, Ning (Liu, Ning.) | Chen, Biaohua (Chen, Biaohua.) (学者:陈标华) | Yu, Gangqiang (Yu, Gangqiang.)

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摘要:

This study proposes the capture of dimethyl sulfide (DMS) and dimethyl disulfide (DMDS) from waste gas using an ionic liquid (IL), namely, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][Tf2N]), and examines the process from a molecular level to the laboratory scale, which is then scaled up to the industrial level. The binding energy and weak interactions between DMS/DMDS and the anion/cation in [EMIM][Tf2N] were investigated using quantum chemistry calculations to identify the capture mechanism at the molecular scale. A thermodynamic model (UNIFAC-Lei) was established by the vapor−liquid equilibrium data of the [EMIM][Tf2N] + DMS/DMDS systems measured at the laboratory scale. The equilibrium and continuous absorption experiments were performed, and the results demonstrated that [EMIM][Tf2N] exhibits a highly efficient capture performance at atmospheric conditions, particularly, absorption capacities (AC) for DMS and DMDS are 189.72 and 212.94 mg g−1, respectively, and partial coefficients (PC) as more reasonable evaluation metrics for those are 0.509 × 10-4 and 6.977 × 10-4 mol kg−1 Pa−1, respectively, at the 100 % breakthrough. Finally, a mathematical model of the strict equilibrium stage was established for process simulations, and the absorption process was conceptually designed at the industrial scale, which could provide a decision-making basis for chemical engineers and designers. © 2020 Elsevier B.V.

关键词:

Ionic liquids Sulfur compounds Sulfur Decision making Quantum chemistry Binding energy

作者机构:

  • [ 1 ] [Xu, Ruinian]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 2 ] [Dai, Chengna]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 3 ] [Mu, Mingli]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 4 ] [Cheng, Jun]State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box 266, Beijing; 100029, China
  • [ 5 ] [Lei, Zhigang]State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box 266, Beijing; 100029, China
  • [ 6 ] [Wu, Bin]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 7 ] [Liu, Ning]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 8 ] [Chen, Biaohua]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China
  • [ 9 ] [Yu, Gangqiang]College of Environmental and Energy Engineering, Beijing University of Technology, Beijing; 100124, China

通讯作者信息:

  • [yu, gangqiang]college of environmental and energy engineering, beijing university of technology, beijing; 100124, china

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来源 :

Journal of Hazardous Materials

ISSN: 0304-3894

年份: 2021

卷: 402

1 3 . 6 0 0

JCR@2022

ESI学科: ENGINEERING;

ESI高被引阀值:87

JCR分区:1

被引次数:

WoS核心集被引频次: 0

SCOPUS被引频次: 24

ESI高被引论文在榜: 0 展开所有

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