Extra Linker Incorporated Zr-based MOFs for Efficient Separation of C2 Hydrocarbons from CH4

Authors

  • Chunlian Hao
  • Houyu Zhu
  • Hao Ren
  • Yuhua Chi
  • Wen Zhao
  • Wenyue Guo

DOI:

https://doi.org/10.54097/hset.v20i.3518

Keywords:

CH4; High-purity C2 Hydrocarbons; Multivariate PCN-606 Materials.

Abstract

Exploring stable adsorbents for efficiently separating C2 hydrocarbons from CH4 is of importance to obtain upgraded natural gas and high-purity C2 hydrocarbons. Here, we selected the stable Zr-based PCN-606 and the corresponding multivariate structures PCN-606-BDC, PCN-606-TPDC, and PCN-606-BDC-TPDC as the adsorbents. Their separation performances of C2 hydrocarbons from CH4 were investigated using GCMC simulations, revealing that the incorporation of different linkers led to a great influence on C2/CH4 separation. PCN-606 and PCN-606-TPDC exhibit the best C2H2/CH4 separation performances with values of 46.5 and 82.5 at low pressures, and PCN-606-BDC-TPDC exhibits the largest C2H6/CH4 selectivity of 30.7. The C2H2 adsorption relies more on Coulomb interaction between C2H2 and terminal -OH groups in Zr6-clusters, whereas C2H4 and C2H6 adsorption are closely related to non-Coulomb interaction. This work highlights the potential of multivariate PCN-606 materials as excellent candidates for C2/CH4 separation.

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Published

30-12-2022

How to Cite

Hao, C., Zhu, H., Ren, H., Chi, Y., Zhao, W., & Guo, W. (2022). Extra Linker Incorporated Zr-based MOFs for Efficient Separation of C2 Hydrocarbons from CH4. Highlights in Science, Engineering and Technology, 20, 142-147. https://doi.org/10.54097/hset.v20i.3518