𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics simulation of ethene adsorption, polarization and diffusion in three kinds of zeolites

✍ Scribed by Jianfen Fan; Heming Xiao; B. van de Graaf; S. L. Njo


Publisher
Springer
Year
1999
Tongue
English
Weight
469 KB
Volume
44
Category
Article
ISSN
1001-6538

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Insights into diffusion of gases in zeol
✍ R. Krishna; J.M. van Baten πŸ“‚ Article πŸ“… 2008 πŸ› Elsevier Science 🌐 English βš– 787 KB

The Maxwell-Stefan (M-S) diffusivities -D i of a variety of gases (He, Ne, Ar, Kr, H 2 , N 2 , CO 2 , CH 4 ) in six different all-silica zeolite structures (MFI, AFI, FAU, CHA, DDR, and LTA) have been determined using molecular dynamics (MD) simulations for a range of molar loadings, q i . In all ca

Molecular dynamics simulation of diffusi
✍ Farkhondeh Mozaffari; Hossein Eslami; Jalil Moghadasi πŸ“‚ Article πŸ“… 2010 πŸ› Elsevier Science 🌐 English βš– 496 KB

Molecular dynamics simulations are performed to study the diffusion and permeation of gases, including argon, nitrogen, methane, carbon dioxide, and propane, in polystyrene over a wide range of temperatures. A jumping mechanism is observed for the diffusion of diffusants in polymer. The calculated d