Liquid flow-induced energy harvesting in carbon nanotubes: a molecular dynamics study

被引：30

作者：

Xu, Baoxing ^{[1
]}

Chen, Xi ^{[1
,2
,3
]}

机构：

[1] Columbia Univ, Columbia Nanomech Res Ctr, Dept Earth & Environm Engn, New York, NY 10027 USA

[2] Xi An Jiao Tong Univ, Int Ctr Appl Mech, SV Lab, Xian 710049, Peoples R China

[3] Hanyang Univ, Dept Civil & Environm Engn, Seoul 133791, South Korea

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2013年 / 15卷 / 04期

基金：

中国国家自然科学基金; 新加坡国家研究基金会; 美国国家科学基金会;

关键词：

WATER TRANSPORT; MEMBRANES; SIMULATION; SYSTEM; DRIVEN; PAIR;

D O I：

10.1039/c2cp42204b

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Energy harvesting by the flow of a hydrochloric acid-water solution through a carbon nanotube (CNT) is explored using atomistic simulations. Through ion configurations near the CNT wall, the ion drifting velocity is obtained, and the induced voltage along the axial direction is obtained as a function of key material and system parameters, including the applied flow rate, ambient temperature, solution concentration and nanotube diameter. The molecular mechanism of ion hopping and motion is elucidated and related to the variation of material and system parameters.

引用

页码：1164 / 1168

页数：5

共 41 条

[1]

Allen M. P., 2017, COMPUTER SIMULATION

[2] THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS [J].

BERENDSEN, HJC ;

GRIGERA, JR ;

STRAATSMA, TP .

JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) :6269-6271

[3] Molecular dynamics simulations of ion transport through carbon nanotubes. I. Influence of geometry, ion specificity, and many-body interactions [J].

Beu, Titus A. .

JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (16)

[4] Nanoscale fluid transport: Size and rate effects [J].

Chen, Xi ;

Cao, Guoxin ;

Han, Aijie ;

Punyamurtula, Venkata K. ;

Liu, Ling ;

Culligan, Patricia J. ;

Kim, Taewan ;

Qiao, Yu .

NANO LETTERS, 2008, 8 (09) :2988-2992

[5] Molecular dynamics simulations of aqueous NaCl and KCl solutions: Effects of ion concentration on the single-particle, pair, and collective dynamical properties of ions and water molecules [J].

Chowdhuri, S ;

Chandra, A .

JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (08) :3732-3741

[6] Carbon nanotubes provide a charge [J].

Cohen, AE .

SCIENCE, 2003, 300 (5623) :1235-1235

[7] Designing carbon nanotube membranes for efficient water desalination [J].

Corry, Ben .

JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (05) :1427-1434

[8] A molecular dynamics study of a nafion polyelectrolyte membrane and the aqueous phase structure for proton transport [J].

Cui, Shengting ;

Liu, Junwu ;

Selvan, Myvizhi Esai ;

Keffer, David J. ;

Edwards, Brian J. ;

Steele, William V. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (09) :2208-2218

[9] Electrochemomechanical energy conversion in nanofluidic channels [J].

Daiguji, H ;

Yang, PD ;

Szeri, AJ ;

Majumdar, A .

NANO LETTERS, 2004, 4 (12) :2315-2321

[10] Harvesting Energy from Water Flow over Graphene [J].

Dhiman, Prashant ;

Yavari, Fazel ;

Mi, Xi ;

Gullapalli, Hemtej ;

Shi, Yunfeng ;

Ajayan, Pulickel M. ;

Koratkar, Nikhil .

NANO LETTERS, 2011, 11 (08) :3123-3127

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