Chemical Engineering Science, Vol.54, No.8, 1015-1027, 1999
On the origin of transport resistances within carbon molecular sieves
The dual-control volume nonequilibrium molecular dynamics (NMD) technique and the Monte-Carlo - Renormalized Effective Medium Approximation (MC-REMA) are employed to investigate the mechanism for oxygen and nitrogen separation within carbon molecular sieves. It is shown that the usual interpretation of the mechanism based on constricted pore widths is only partially correct and that it is the length of the constricted pore which is of paramount importance.
Keywords:DYNAMICS SIMULATION;DIFFUSION;GAS;ADSORPTION;PERCOLATION;NITROGEN;MIXTURES;NETWORKS;FLUIDS;OXYGEN