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Molecular Simulation Volume 40, 2014 - Issue 6
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Articles

Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study

Yang LiState Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China
,
You-Liang ZhuState Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China
,
Yan-Chun LiState Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. ChinaCorrespondence[email protected] [email protected]
,
Hu-Jun QianState Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China
&
Chia-Chung SunState Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun, 130023, P.R. China
Pages 449-457 | Received 24 Apr 2013, Accepted 21 Jun 2013, Published online: 29 Jul 2013
 
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Abstract

We study the self-assembly behaviour of two-patch particles with D∞h symmetry by using Brownian dynamics simulations. The self-assembly process of two-patch particles with diverse patch coverage in two selective solvent conditions is investigated. The patchy particles in a solvent that is bad for patches but good for matrix form linear thread-like structures with low patch coverage, whereas they form 3D network structures with relatively high patch coverage on surface. For patchy particles in a solvent which is good for patches but bad for body, monolayer structures are obtained at high patch coverage, and some cluster structures emerge when surface patch coverage is low.

Acknowledgement

This work is supported by the National Science Foundation of China (21204029).

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