Simulation of the heteroagglomeration between highly size-asymmetric ceramic particles

• Published in: Journal of colloid and interface science Vol. 332; no. 2; pp. 360 - 365
• Main Authors: Cerbelaud, M., Videcoq, A., Abélard, P., Ferrando, R.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier Inc 15-04-2009; Elsevier
• Subjects: Brownian dynamics; Chemistry; Colloidal state and disperse state; Dilute colloidal suspensions; Exact sciences and technology; General and physical chemistry; Global minimization; Heteroaggregation; Simulation; Surface physical chemistry; Heteroaggregation; Global minimization; Brownian dynamics; Simulation; Dilute colloidal suspensions; Binary compound; Shape; Computer simulation; Minimization; Oxides; Potential; Silica; Aggregation; Particle; Dilute suspension; Dynamics; Colloidal suspension; Models; Kinetics; Aggregate; Alumina; Ceramic materials
• ISSN: 0021-9797; 1095-7103
• DOI: 10.1016/j.jcis.2008.11.063

Aggregation phenomena of dilute suspensions composed of two kinds of oxide particles (alumina
d
1
=
400

nm
and silica
d
2
=
25

nm
) have been studied by computer simulations. These particles are oppositely charged and so are prone to heteroagglomerate. The interaction between particles has been modeled by the DLVO potential. Two kinds of simulations have been performed: Brownian dynamics simulations to study the aggregation kinetics and global minimization searches that permit the examination of the most stable configurations of agglomerates. We demonstrate that aggregation should occur also for quite large fractions of added silica (even when 200 silica particles are adsorbed on each alumina particle) and that aggregates are likely to present chainlike shapes. Both findings are in agreement with experiments.
Modeling of the aggregation process in a two-components system: (a) dispersed particles, (b) silica nanoparticles adsorption on alumina submicrometer particles, (c) aggregation of silica-covered alumina particles.