Electric field controlled transport of water in graphene nano-channels

被引:43
作者
Celebi, Alper Tunga [1 ]
Barisik, Murat [2 ]
Beskok, Ali [1 ]
机构
[1] Southern Methodist Univ, Lyle Sch Engn, Dallas, TX 75205 USA
[2] Izmir Inst Technol, Dept Mech Engn, Izmir, Turkey
关键词
MOLECULAR-DYNAMICS SIMULATIONS; ICE NUCLEATION; LIQUID WATER; INTERFACE; MODEL; HYDRODYNAMICS; VISCOSITY;
D O I
10.1063/1.4996210
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
Motivated by electrowetting-based flow control in nano-systems, water transport in graphene nano-channels is investigated as a function of the applied electric field. Molecular dynamics simulations are performed for deionized water confined in graphene nano-channels subjected to opposing surface charges, creating an electric field across the channel. Water molecules respond to the electric field by reorientation of their dipoles. Oxygen and hydrogen atoms in water face the anode and cathode, respectively, and hydrogen atoms get closer to the cathode compared to the oxygen atoms near the anode. These effects create asymmetric density distributions that increase with the applied electric field. Force-driven water flows under electric fields exhibit asymmetric velocity profiles and unequal slip lengths. Apparent viscosity of water increases and the slip length decreases with increased electric field, reducing the flow rate. Increasing the electric field above a threshold value freezes water at room temperature. Published by AIP Publishing.
引用
收藏
页数:10
相关论文
共 73 条
[1]   A general purpose model for the condensed phases of water: TIP4P/2005 [J].
Abascal, JLF ;
Vega, C .
JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (23)
[2]  
Allen M. P., 1989, Computer Simulation of Liquids
[3]   The shear viscosity of rigid water models [J].
Angel Gonzalez, Miguel ;
Abascal, Jose L. F. .
JOURNAL OF CHEMICAL PHYSICS, 2010, 132 (09)
[4]   Poiseuille flow to measure the viscosity of particle model fluids [J].
Backer, JA ;
Lowe, CP ;
Hoefsloot, HCJ ;
Iedema, PD .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (15)
[5]   Temperature dependence of thermal resistance at the water/silicon interface [J].
Barisik, Murat ;
Beskok, Ali .
INTERNATIONAL JOURNAL OF THERMAL SCIENCES, 2014, 77 :47-54
[6]   Molecular dynamics simulations [J].
Binder, K ;
Horbach, J ;
Kob, W ;
Paul, W ;
Varnik, F .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2004, 16 (05) :S429-S453
[7]   STRUCTURE AND PROPERTIES OF ICE [J].
BJERRUM, N .
SCIENCE, 1952, 115 (2989) :385-390
[8]   Electrofreezing effect and nucleation of ice crystals in free growth experiments [J].
Braslavsky, I ;
Lipson, SG .
APPLIED PHYSICS LETTERS, 1998, 72 (02) :264-266
[9]   Tensile behavior of heat welded CNT network structures [J].
Celebi, Alper T. ;
Kirca, Mesut ;
Baykasoglu, Cengiz ;
Mugan, Ata ;
To, Albert C. .
COMPUTATIONAL MATERIALS SCIENCE, 2014, 88 :14-21
[10]   Stress and surface tension analyses of water on graphene-coated copper surfaces [J].
Chinh Thanh Nguyen ;
Kim, BoHung .
INTERNATIONAL JOURNAL OF PRECISION ENGINEERING AND MANUFACTURING, 2016, 17 (04) :503-510