Occupancy Dependency of Maxwell-Stefan Diffusivities in Ordered Crystalline Microporous Materials.

ABSTRACT: Molecular dynamics simulation data for a variety of binary guest mixtures (H₂/CO₂, Ne/CO₂, CH₄/CO₂, CO₂/N₂, H₂/CH₄, H₂/Ar, CH₄/Ar, Ar/Kr, Ne/Ar, CH₄/C₂H₆, CH₄/C₃H₈, C₂H₆C₃H₈, CH₄/nC₄H₁₀, and CH₄/nC₅H₁₁) in zeolites (MFI, BEA, ISV, FAU (all-silica), NaY, NaX, LTA, CHA, DDR) and metal-organic frameworks (MOFs) (IRMOF-1, CuBTC, MgMOF-74) show that the Maxwell-Stefan (M-S) diffusivities, Đ ₁, Đ ₂, Đ ₁₂, are strongly dependent on the mo

SUBMITTER: Krishna R 

PROVIDER: S-EPMC6275975 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature