Theory of single-file multiparticle diffusion in narrow pores

被引:5
作者
Kharkyanen, Valery N. [1 ]
Yesylevskyy, Semen O. [1 ]
机构
[1] Natl Acad Sci Ukraine, Inst Phys, Dept Phys Biol Syst, UA-03039 Kiev, Ukraine
关键词
MOLECULAR-DYNAMICS; ION CHANNELS; POTASSIUM CHANNEL; BIOLOGICAL-MEMBRANES; CONTINUUM-THEORIES; BROWNIAN DYNAMICS; CONDUCTION; PERMEATION; TRANSPORT; MODELS;
D O I
10.1103/PhysRevE.80.031118
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
Single-file diffusion of multiple strongly interacting particles in a one-dimensional pore is described within a general analytical framework. The theory accounts for nonequilibrium conditions, explicit particle-particle interactions, external potential acting on the particles and the fluctuations of the number of particles due to their exchange with external equilibrium reservoirs. It is shown that the problem can be reduced to a closed hierarchical set of partial differential equations of increasing dimensionality, which can be solved numerically. Our framework allows computing any macroscopic characteristic of multiparticle diffusion in the pore. It is shown that the pore occupancy probabilities and the current are rational functions of external concentrations in the steady state. The theory is tested on a simplified model of the narrow rigid pore inspired by the selectivity filter of biological ion channel. Perspectives and limitations of the theory are discussed.
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页数:19
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