Eur J Chem volume 11, issue 3, P217-222 2020 DOI: 10.5155/eurjchem.11.3.217-222.2008 View Full Text
Negin Davoodian, Zahra Khoshbin

Abstract: Metal-organic frameworks (MOFs) are a new class of nanoporous materials that have attracted much attention for the adsorption of small molecules, due to the large size of the cavities. In this study, we investigate the adsorption and diffusion of hydrogen (H2) and carbon monoxide (CO) guest molecules to the UiO-66 framework, as one of the most widely used MOFs, by using Monte Carlo simulation method. The results prove that an increment in the temperature decreases the amount of the adsorbed H2 and CO on the Ui…

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