Computational simulation of surface diffusion in porous materials

✍ Scribed by P.V. Patel; J.B. Butt

• Publisher: Elsevier Science
• Year: 1972
• Tongue: English
• Weight: 681 KB
• Volume: 27
• Category: Article
• ISSN: 0009-2509
• DOI: 10.1016/0009-2509(72)85095-4

✦ Synopsis

The application of the converging-diverging pore model, previously developed for the simulation of structural effects on the diffusion of nonadsorbed gases in porous media, to surface transport is described. Good agreement with experimental results reported for surface diffusion of propane and neopentane on a molybdenum sulfide structure is demonstrated in the limit of low surface coverage. At higher coverages, some deviation is seen to occur, but this is more probably due to the inadequacy of Fickian diffusivity correlations under such conditions than to the model itself. A brief comparison with corresponding parallel-path model correlations is also given.