Brownian dynamics simulations of one-patch inverse patchy particles
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 D...
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| Veröffentlicht in: | Physical chemistry chemical physics : PCCP 2019, Vol.21 (42), p.23447-23458 |
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| container_title | Physical chemistry chemical physics : PCCP |
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| creator | Cerbelaud, Manuella Lebdioua, Khaoula Tran, Công Tâm Crespin, Benoît Aimable, Anne Videcoq, Arnaud |
| description | 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.
92 bead colloids are used to study the self-assembly of large surface anistropic particles. |
| doi_str_mv | 10.1039/c9cp04247d |
| format | Article |
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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.
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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.
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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.
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| source | Royal Society Of Chemistry Journals; Alma/SFX Local Collection |
| subjects | Agglomeration Aggregates Beads Charged particles Chemical Sciences Coarsening Colloids Engineering Sciences Material chemistry Materials Self-assembly Simulation |
| title | Brownian dynamics simulations of one-patch inverse patchy particles |
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