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Brownian dynamics simulations of one-patch inverse patchy particles

Abstract

Inverse patchy particles are promising colloids to develop new architectures in ceramic materials based on their self-assembly. Nonetheless a good understanding of their aggregation is required. Several previous studies have shown that the behavior of ceramic colloids is well described the DLVO interaction potential. In the present paper, we develop new coarse-grained Brownian dynamics simulations where particles are represented by an assembly of beads interacting with DLVO interactions, whose parameters can be directly linked to experimental characterizations. First, the validity of the simulations is proved by studying the heteroaggregation of homogeneously charged particles. Then, simulations are applied to one-patch inverse patchy particles to study the effect of the patch size. They show that the smaller the patch is, the more elongated the aggregates are. Simulations are also performed to understand the role of the Debye screening length in the particular case of large patches and they show that aggregation leads always compact aggregates.

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Publication details

The article was received on 30 Jul 2019, accepted on 04 Oct 2019 and first published on 04 Oct 2019


Article type: Paper
DOI: 10.1039/C9CP04247D
Phys. Chem. Chem. Phys., 2019, Accepted Manuscript

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    Brownian dynamics simulations of one-patch inverse patchy particles

    M. Cerbelaud, K. Lebdioua, C. T. Tran, B. Crespin, A. Aimable and A. Videcoq, Phys. Chem. Chem. Phys., 2019, Accepted Manuscript , DOI: 10.1039/C9CP04247D

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