Single and binary surface diffusion permeation through zeolite membranes using new Maxwell-Stefan factors for Dubinin-type isotherms and occupancy-dependent kinetics

摘要: Abstract The development of accurate mass transfer models is essential to describe and, most importantly, predict the dynamic behavior separation and reaction processes. In this work, Maxwell-Stefan (MS) thermodynamic factors for Dubinin-Astakhov (DA) Dubinin-Radushkevich (DR) isotherms are derived first time, with objective model permeation pure mixed gases through zeolite membranes, which implies reliable kinetic equilibrium data/equations. new MS expressions validated using data (methane, ethane)/silicalite-1 systems according following procedure: (i) best modeling approaches single DA DR determined; (ii) binary then predicted from gas data; (iii) influence surface loading on diffusivity permeating species carefully assessed; (iv) diffusion parameters each obtained unary (v) counter-sorption diffusivities Vignes correlation; finally (vi) methane/ethane mixtures in silicalite-1 membrane totally combined isotherms. results achieved methane, ethane, reveal that able correlate accurately membrane, particularly if selected. calculated root mean square deviations only 8.75 × 10 - 3  mol m−2 s−1 case 1.55 prediction.