Nanopore Wall-Liquid Interaction under Scope of Molecular Dynamics Study: Review

被引：1
|
作者：
Tsukanov, A. A. [1 ,2 ]
Psakhie, S. G. [1 ,2 ]
机构：
[1] Natl Res Tomsk Polytech Univ, Tomsk 634050, Russia
[2] Inst Strength Phys & Mat Sci SB RAS, Tomsk 634055, Russia
来源：
PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES 2017 (AMHS'17) | 2017年 / 1909卷
基金：
俄罗斯科学基金会;
关键词：
HEXAGONAL BORON-NITRIDE; CARBON NANOTUBES; WATER TRANSPORT; GRAPHENE NANOPORES; ION SELECTIVITY; MEMBRANE; SIMULATION; CHANNEL; DESALINATION; PERMEATION;
D O I：
10.1063/1.5013903
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The present review is devoted to the analysis of recent molecular dynamics based on the numerical studies of molecular aspects of solid-fluid interaction in nanoscale channels. Nanopore wall-liquid interaction plays the crucial role in such processes as gas separation, water desalination, liquids decontamination, hydrocarbons and water transport in nano-fractured geological formations. Molecular dynamics simulation is one of the most suitable tools to study molecular level effects occurred in such multicomponent systems. The nanopores are classified by their geometry to four groups: nanopore in nanosheet, nanotube-like pore, slit-shaped nanopore and soft-matter nanopore. The review is focused on the functionalized nanopores in boron nitride nanosheets as novel selective membranes and on the slit-shaped nanopores formed by minerals.
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页数：9
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