Knudsen Diffusion in the Sequentially Linked Spherical Pore

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

Nam-Ho Heo¹  David Nicholson³  Soong-Hyuck Suh² 

[1] Department of Industrial Chemistry, Kyungpook National University;Department of Chemical Engineering, Keimyung University;Department of Chemistry, Imperial College of Science, Technology and Medicine

关键词: Knudsen Diffusion;    Non-Adsorbed Pore;    Linked Spherical Model;    Molecular Dynamics Simulation;   

DOI  :  10.1252/jcej.31.644

来源: Maruzen Company Ltd

【 摘 要 】

References(12)Cited-By(2)Molecular dynamics (MD) simulations have been carried out to investigate the Knudsen diffusion properties for the non-adsorbed, collisionless molecules confined within the one-dimensional model pore system, namely, the sequentially linked spherical pore. Simulation results were used to evaluate various theoretical calculations appeared in the literature including the random walk approximation, the radiating disc method, and the molecular path tracing method. The simple equation based on the molecular path tracing method, in comparison with MD simulation results, has proven to be successful to qualitatively and quantitatively predict the diffusion coefficient in the Knudsen regime over the entire ranges of the pore cross-sectional variations in such a model system.

【 授权许可】

Unknown