Departamento de Fisica, Universidad Autonoma Metropolitana-Iztapalapa, 09340 Mexico City, Mexico.
Section of Molecular Transport, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, Maryland 20892, United States.
J Phys Chem B. 2022 Aug 18;126(32):6016-6025. doi: 10.1021/acs.jpcb.2c00715. Epub 2022 Aug 9.
Being motivated by recent progress in nanopore sensing, we develop a theory of the effect of large analytes, or blockers, trapped within the nanopore confines, on diffusion flow of small solutes. The focus is on the nanopore diffusion resistance which is the ratio of the solute concentration difference in the reservoirs connected by the nanopore to the solute flux driven by this difference. Analytical expressions for the diffusion resistance are derived for a cylindrically symmetric blocker whose axis coincides with the axis of a cylindrical nanopore in two limiting cases where the blocker radius changes either smoothly or abruptly. Comparison of our theoretical predictions with the results obtained from Brownian dynamics simulations shows good agreement between the two.
受近年来纳米孔传感技术进展的启发，我们研究了大分析物（或阻塞物）被困在纳米孔限制内对小分子扩散流的影响的理论。研究重点是纳米孔扩散阻力，它是由纳米孔连接的储层中溶质浓度差与该浓度差驱动的溶质通量的比值。针对阻塞物半径连续变化或突然变化两种极限情况，推导了轴对称阻塞物的扩散阻力的解析表达式。将我们的理论预测与布朗动力学模拟的结果进行比较，发现两者之间有很好的一致性。
