Computer simulations of heteroaggregation with large size asymmetric colloids

Laganapan, Aleena Maria; Cerbelaud, Manuella; Ferrando, Riccardo; Tran, Công Tâm; Crespin, Benoît; Videcoq, Arnaud

doi:10.1016/j.jcis.2017.12.071

Cited by 6 publications

(2 citation statements)

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“…At the beginning of the simulations, particles are randomly distributed in the simulation box avoiding superposition. Then the trajectory of each particle is calculated by the Brownian dynamics simulation scheme presented in references [36] and [37]. The motion of the alumina particles is obtained by a full Langevin scheme, whereas the motion of the small silica particles is obtained by integrating the overdamped Langevin equation, in which inertia is neglected.…”

Section: Methodsmentioning

confidence: 99%

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An experimental and simulation study of heteroaggregation in a binary mixture of alumina and silica colloids

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Delomenie

Cerbelaud

et al. 2020

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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Heteroaggregation corresponds to an attraction between two different types of particles. It can either lead to stable or instable systems, depending on the conditions. In this paper heteroaggregation in binary mixtures of alumina and silica colloids (size ratio = 8.5) is studied, by coupling an experimental approach and Brownian dynamics simulations. Two main objectives are targeted. The first one is to bridge the gap between coagulation and dispersion, by examining the effect of the relative concentrations of silica and alumina. The second one is to study the effect of the volume fraction of solid, which impacts strongly the aggregation mechanism. The coagulation or the dispersion are evidenced by sedimentation tests, granulometry, and rheological measurements, supported by zeta potential measurements. Heteroaggregates could be observed by transmission electron microscopy. Brownian dynamics simulations give more insight into the very first moments of the process, to predict the adsorption kinetic and the heteroaggregates structure. A very good agreement is obtained between experiments and simulations, which both show adsorption of silica leads to the bridging of alumina particles and thus coagulation at low concentration. This adsorption is rapidly limited by electrostatic interactions, then hindering alumina agglomeration by repulsive interactions. For the higher solid fractions, alumina aggregation is more likely, as two alumina particles can easier encounter before their surface is enough covered by the silica to avoid their aggregation.

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Section: Methodsmentioning

confidence: 99%

“…Coupling experimental and simulation studies on bi-component system made of alumina and silica particles [33] [34] [35] contributed to the development of very performant models based on Brownian dynamics simulations [36] [37]. Most studies were conducted with a small ratio of silica colloids, leading to heterocoagulation.…”

Section: Introductionmentioning

confidence: 99%