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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

Baichuan Sun, Sibnath Kayal and Anutosh Chakraborty

Energy, 2014, vol. 76, issue C, 419-427

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.

Keywords: Adsorption; ANG; GCMC; Isosteric heat of adsorption; MOF (search for similar items in EconPapers)
Date: 2014
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Citations: View citations in EconPapers (2)

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Persistent link: https://EconPapers.repec.org/RePEc:eee:energy:v:76:y:2014:i:c:p:419-427

DOI: 10.1016/j.energy.2014.08.033

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