Efficient simulation method for nano-patterned charged surfaces in an electrolyte solution

被引:14
作者
Bakhshandeh, Amin [1 ]
dos Santos, Alexandre P. [1 ,2 ]
Levin, Yan [1 ]
机构
[1] Univ Fed Rio Grande do Sul, Inst Fis, Caixa Postal 15051, BR-91501970 Porto Alegre, RS, Brazil
[2] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany
关键词
COLLOIDAL INTERACTIONS; ATTRACTION; POLYELECTROLYTES; ELECTROSTATICS; PARTICLES; MACROIONS; MODEL;
D O I
10.1039/c8sm00226f
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
We present a method to efficiently simulate nano-patterned charged surfaces inside an electrolyte solution. Simulations are performed in the grand canonical ensemble and are used to calculate the force between surfaces with various charge patterns. The electric field produced by the surfaces is calculated analytically and is used as an external potential. To treat the long range Coulomb interaction between the ions we use a modified 3d Ewald summation method. The force between the surfaces is found to depend strongly on the specific charge pattern, on the surface alignment and separation.
引用
收藏
页码:4081 / 4086
页数:6
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