Tracer counterpermeation analysis of diffusivity in finite-length nanopores with and without single-file dynamics

被引:2
|
作者
Ackerman, David M. [1 ,2 ]
Evans, James W. [1 ,3 ,4 ]
机构
[1] Iowa State Univ, Ames Lab USDOE, Ames, IA 50011 USA
[2] Iowa State Univ, Dept Mech Engn, Ames, IA 50011 USA
[3] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA
[4] Iowa State Univ, Dept Math, Ames, IA 50011 USA
关键词
NONINTERACTING PARTICLES; ZEOLITE MEMBRANES; LATTICE; NMR; PERMEATION; SIMULATION; TRANSPORT; SYSTEMS; GASES; PORES;
D O I
10.1103/PhysRevE.95.012132
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We perform a tracer counterpermeation (TCP) analysis for a stochastic model of diffusive transport through a narrow linear pore where passing of species within the pore is inhibited or even excluded (single-file diffusion). TCP involves differently labeled but otherwise identical particles from two decoupled infinite reservoirs adsorbing into opposite ends of the pore, and desorbing from either end. In addition to transient behavior, we assess steady-state concentration profiles, spatial correlations, particle number fluctuations, and diffusion fluxes through the pore. From the profiles and fluxes, we determine a generalized tracer diffusion coefficient D-tr(x), at various positions x within the pore. Dtr(x) has a plateau value in the pore center scaling inversely with the pore length, but it is enhanced near the pore openings. The latter feature reflects the effect of fluctuations in adsorption and desorption, and it is also associated with a nontrivial scaling of the concentration profiles near the pore openings.
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页数:12
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