Fig. 6: Molecular dynamics simulations on the diffusion of propene and 1-butene molecules in MFI-structured zeolite. | Communications Chemistry

Fig. 6: Molecular dynamics simulations on the diffusion of propene and 1-butene molecules in MFI-structured zeolite.

From: A diffusion anisotropy descriptor links morphology effects of H-ZSM-5 zeolites to their catalytic cracking performance

Fig. 6

a MSDs of propene diffusion in different directions at different temperatures. b MSDs of 1-butene diffusion in different directions at different temperatures. c The ratio of self-diffusion coefficient in x- and y-directions. d Schematic view of olefin molecules diffusion along x- and y-directions of MFI-type zeolites. The anisotropic components MSDxx, MSDyy, and MSDzz curves were calculated by three individual samples, and the average MSD, Dself-xx, and Dself-yy are reported in this work.

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