Detailed model of the aggregation event between two fractal clusters.
ABSTRACT A model has been developed for describing the aggregation process of two fractal clusters under quiescent conditions. The model uses the approach originally proposed by Smoluchowski for the diffusion-limited aggregation of two spherical particles but accounts for the possibility of interpenetration between the fractal clusters. It is assumed that when a cluster diffuses toward a reference cluster their center-to-center distance can be smaller than the sum of their radii, and their aggregation process is modeled using a diffusion-reaction equation. The reactivity of the clusters is assumed to depend on the reactivity and number of their particles involved in the aggregation event. The model can be applied to evaluate the aggregation rate constant as a function of the prevailing operating conditions by simply changing the value of the particle stability ratio, without any a priori specification of a diffusion-limited cluster aggregation, reaction-limited cluster aggregation, or transition regime. Furthermore, the model allows one to estimate the structure properties of the formed cluster after the aggregation, based on the computed distance between the aggregating clusters in the final cluster.
- European Urology Supplements - EUR UROL SUPPL. 01/2011; 10(7):462-462.
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ABSTRACT: The fractal dimension (D f) of the clusters formed during the aggregation of colloidal systems reflects correctly the coalescence extent among the particles (Gauer et al., Macromolecules 42:9103, 2009). In this work, we propose to use the fast small-angle light scattering (SALS) technique to determine the D f value during the aggregation. It is found that in the diffusion-limited aggregation regime, the D f value can be correctly determined from both the power law regime of the average structure factor of the clusters and the scaling of the zero angle intensity versus the average radius of gyration. The obtained D f value is equal to that estimated from the technique proposed in the above work, based on dynamic light scattering (DLS). In the reaction-limited aggregation (RLCA) regime, due to contamination of small clusters and primary particles, the power law regime of the average structure factor cannot be properly defined for the D f estimation. However, the scaling of the zero angle intensity versus the average radius of gyration is still well defined, thus allowing one to estimate the D f value, i.e., the coalescence extent. Therefore, when the DLS-based technique cannot be applied in the RLCA regime, one can apply the SALS technique to monitor the coalescence extent. Applicability and reliability of the technique have been assessed by applying it to an acrylate copolymer colloid.Colloid and Polymer Science 290(11). · 2.16 Impact Factor
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ABSTRACT: The phase separation of symmetric non-additive hard discs mixtures is studied. For that purpose, Monte Carlo simulations are implemented for accessing both phase separation behaviour and its kinetics. The latter is monitored by the evolution of the cluster size distribution of the less concentrated species. The kinetic data are then compared to the stochastic solutions of the master equation, which constitute a reduced description of the same phenomenon. The obtained good agreement points out the success of this simple numerical method for correctly describing the reversible nature of the drop-like clusters.Molecular Simulation 03/2010; 36(3):175-185. · 1.06 Impact Factor