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Issue 42, 2019
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Brownian dynamics simulations of one-patch inverse patchy particles

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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 can be well described by 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 via DLVO interactions, whose parameters can be directly linked to experimental characterization. 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, the more elongated the aggregates. 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 to compact aggregates.

Graphical abstract: Brownian dynamics simulations of one-patch inverse patchy particles

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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., 2019,21, 23447-23458

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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, 21, 23447
    DOI: 10.1039/C9CP04247D

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