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Study of HKUST (Copper benzene-1,3,5-tricarboxylate, Cu-BTC MOF)-1 metal organic frameworks for CH4 adsorption: An experimental Investigation with GCMC (grand canonical Monte-carlo) simulation

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  • Sun, Baichuan
  • Kayal, Sibnath
  • Chakraborty, Anutosh

Abstract

We have measured the methane uptakes on HKUST (Copper benzene-1,3,5-tricarboxylate, Cu-BTC MOF)-1 MOF (metal organic framework) for the temperatures ranging from 120 K to 300 K and pressures up to 10 bar. The experimentally measured HKUST-1 + CH4 isotherms data are compared with uptakes of various adsorbents and methane systems. We have also simulated the methane uptakes and its density distribution on HKUST-1 employing GCMC (grand canonical Monte-carlo) simulation and compare with experimental data. In this article, we also present an extensive study on characterization and property evaluation of HKUST-1 MOF for CH4 adsorption characteristics employing XRD (X-ray diffraction), SEM (scanning electron microscope) and TGA (thermo gravimetric analysis). Employing GCMC and the thermodynamic property fields of HKUST-1 + CH4 system, the isosteric heat of adsorption (Qst) is calculated and Qst is presented in a T-s (temperature-entropy) diagram.

Suggested Citation

  • Sun, Baichuan & Kayal, Sibnath & Chakraborty, Anutosh, 2014. "Study of HKUST (Copper benzene-1,3,5-tricarboxylate, Cu-BTC MOF)-1 metal organic frameworks for CH4 adsorption: An experimental Investigation with GCMC (grand canonical Monte-carlo) simulation," Energy, Elsevier, vol. 76(C), pages 419-427.
    • Handle: RePEc:eee:energy:v:76:y:2014:i:c:p:419-427
    DOI: 10.1016/j.energy.2014.08.033
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    References listed on IDEAS

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    1. Hailian Li & Mohamed Eddaoudi & M. O'Keeffe & O. M. Yaghi, 1999. "Design and synthesis of an exceptionally stable and highly porous metal-organic framework," Nature, Nature, vol. 402(6759), pages 276-279, November.
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    2. Xu, Jiuping & Tang, Min & Liu, Tingting & Fan, Lurong, 2024. "Technological paradigm-based development strategy towards natural gas hydrate technology," Energy, Elsevier, vol. 289(C).

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