Adsorption and Diffusion of CH₄, N₂, and Their Mixture in MIL-101(Cr): A Molecular Simulation Study.

Figure 8 and Table S4 illustrate an increasing trend in the self-diffusion coefficients of both CH 4 and N 2 , which agreed well with previous work of Sedighi et al. 63 and Zhang et al. 58 This can be attributed to the nearly constant number of adsorption sites in MIL-101, indicating that the atoms in MIL-101 exerting effective forces on CH 4 and N 2 remain unchanged.

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