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Issue 20, 2018
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Efficient simulation method for nano-patterned charged surfaces in an electrolyte solution

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Abstract

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.

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

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Article information


Submitted
30 Jan 2018
Accepted
16 Feb 2018
First published
19 Feb 2018

Soft Matter, 2018,14, 4081-4086
Article type
Paper

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

A. Bakhshandeh, A. P. dos Santos and Y. Levin, Soft Matter, 2018, 14, 4081
DOI: 10.1039/C8SM00226F

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