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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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Publication details

The article was received on 30 Jan 2018, accepted on 16 Feb 2018 and first published on 19 Feb 2018


Article type: Paper
DOI: 10.1039/C8SM00226F
Citation: Soft Matter, 2018,14, 4081-4086
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    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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