A Molecular Dynamic Investigation of the
β
R. Krishna; J. M. van Baten
π
Article
π
2006
π
John Wiley and Sons
π
English
β 446 KB
π 1 views
## Abstract Molecular Dynamic (MD) simulations were carried out to determine the MaxwellβStefan (MβS) diffusivities, Δ~i~, and selfβdiffusivities, __D__~i,self~, of methane (C1), ethane (C2), and propane (C3) for a variety of molecular loadings, __q__~i~, in three classes of zeolite topologies: (1)