Cation-controlled permeation of charged polymers through nanocapillaries

被引：1

作者：

Faraji, Fahim ^{[1
,2
,3
]}

Neek-Amal, Mehdi ^{[2
,4
]}

Neyts, Erik C. ^{[1
,3
]}

Peeters, Francois M. ^{[2
,3
,5
]}

机构：

[1] Univ Antwerp, Dept Chem, PLASMANT, Univ pl 1, B-2610 Antwerp, Belgium

[2] Univ Antwerp, Dept Phys, Condensed Matter Theory, Groenenborgerlaan 171, B-2020 Antwerp, Belgium

[3] Univ Antwerp, Ctr Excellence NANOlab, Groenenborgerlaan 171, B-2020 Antwerp, Belgium

[4] Shahid Rajaee Teacher Training Univ, Dept Phys, Tehran 16875163, Iran

[5] Univ Fed Ceara, Dept Fis, BR-60455760 Fortaleza, CE, Brazil

来源：

PHYSICAL REVIEW E | 2023年 / 107卷 / 03期

关键词：

MOLECULAR-DYNAMICS SIMULATIONS; POLYELECTROLYTE SOLUTIONS; DNA TRANSLOCATION; GRAPHENE; WATER; HYDRATION; IONS; POLARIZABILITY; ENCAPSULATION; STATISTICS;

D O I：

10.1103/PhysRevE.107.034501

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：

Molecular dynamics simulations are used to study the effects of different cations on the permeation of charged polymers through flat capillaries with heights below 2 nm. Interestingly, we found that, despite being monovalent, Li+ , Na+ , and K+ cations have different effects on polymer permeation, which consequently affects their transmission speed throughout those capillaries. We attribute this phenomenon to the interplay of the cations' hydration free energies and the hydrodynamic drag in front of the polymer when it enters the capillary. Different alkali cations exhibit different surface versus bulk preferences in small clusters of water under the influence of an external electric field. This paper presents a tool to control the speed of charged polymers in confined spaces using cations.

引用

页数：10

共 70 条

[51] A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: Structural, electronic, and dynamical properties [J].