Theoretical Study of the Reorganization of Fractal Aggregates by Diffusion

Schlomach, Jan; Kind, Matthias

doi:10.1080/02726350701490912

Cited by 5 publications

(5 citation statements)

References 15 publications

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“…Furthermore, the consolidation of gel fragments is simulated by statistical methods, such as the Monte Carlo method. The model described in Schlomach (2007) [19] shows good agreement to the time-dependent behavior of a structural factor (fractal dimension) of the computed particle structures with experimental data. Nevertheless, this model is not based on the appropriate interaction potentials between the particles, e.g., according to van der Waals.…”

Section: Introductionmentioning

confidence: 52%

“…A fractal aggregate according to Schlomach and Kind (2007) [19] consisting of 1,000 primary particles (see Figure 3) is used for the simulation of the consolidation of a gel fragment. An algorithm based on a model developed by Sutherland (1967) [38] is used to generate this cluster consisting of primary particles.…”

Section: Structure Of the Simulated Gel Fragmentmentioning

confidence: 99%

“…In Section 2.2, simulation results of the consolidation behavior with the help of MD simulation are presented. The consolidation of a gel fragment is computed and compared with experimental data and a former MC simulation of Schlomach and Kind (2007). The temporal development of the structural factor that is measured in Schlomach (2004) [22] is only valid for a certain experiment.…”

Section: Introductionmentioning

confidence: 99%

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Experimentally Justified Model-Like Description of Consolidation of Precipitated Silica

Sahabi

Kind

2011

Polymers

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Abstract:Colloidal gels are intermediates in the production of highly porous particle systems. In the production process, the gels are fragmented after their creation. These gel fragments consolidate to particles whose application-technological properties are determined by their size and porosity. A model of the consolidation process is proposed: The consolidation process of a gel fragment is simulated with the Molecular Dynamics (MD) method with the assumption of van der Waals forces in interplay with the thermal motion as driving forces for the consolidation. The simulation results are compared with experimental data and with a Monte Carlo (MC) simulation.

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Section: Introductionmentioning

confidence: 52%

Section: Structure Of the Simulated Gel Fragmentmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Experimentally Justified Model-Like Description of Consolidation of Precipitated Silica

Sahabi

Kind

2011

Polymers

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“…The reversibility of aggregation would allow the primary particles to diffuse inside the aggregates and form denser structures over time. Schlomach and Kind, out of their simulations [18], suggested an Arrhenius-type mechanism for intra-aggregate diffusion. Another theory is based on the nature of the bonds between silica particles: at first, two particles are linked by inter-particle hydroxo bridges between silanols groups [19].…”

Section: Introductionmentioning

confidence: 97%

Evidence of structural reorganization during aggregation of silica nanoparticles

Valente

Gruy

Nortier

et al. 2015

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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International audienceSilica nanoparticles have been produced by neutralization of sodium silicate. The obtained suspension was unstable because of the high value of the ionic strength of the medium. Aggregation of the particles has been monitored thanks to a combination of in situ turbidity and dynamic light scattering (DLS) measurements. An optical model has been developed to extract both fractal dimension D_f and primary particle radius r_pp of the formed aggregates from these data. The obtained results clearly indicate a densification of the clusters as aggregation proceeds. A correlation between our experimental turbidity values and hydrodynamic radii was found. Comparison with calculated dimensionless numbers showed that a constant D_f could not explain the observed trend. A fractal dimension dependent on the number of particles inside the aggregate N_pp is thus suggested

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“…In the past few years, a number of attempts have been made to investigate some of the effects by extending the CCA model [2,10,21,22]. The philosophy behind most of these works has been to attempt to develop more realistic models while retaining the simplicity and reliability of the basic models for Cluster-Cluster Aggregation [23][24][25]. But most of the simulations were based on the average-field theory and restrained in a very dilute suspension.…”

Section: Introductionmentioning

confidence: 99%

Application of the Cluster–Cluster Aggregation model to an open system

Xiong

Chen

et al. 2010

Journal of Colloid and Interface Science

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a b s t r a c tColloid aggregation is often induced by the change of internal or external conditions. In order to account for the dynamic features of the evolutional open system, a conceptual model for colloid aggregation in open systems was developed based on the classic Cluster-Cluster Aggregation (CCA) model. The extended model allows the important parameters of the classic CCA model, diffusion coefficient D 1 and sticking probability P 1 of primary particles, time-dependent. Consequently, the new model can be used to simulate colloid aggregation in open systems. To demonstrate the applicability of the extended model, the diffusion coefficient D 1 and sticking probability P 1 were defined as a function of solvent evaporation rate and aggregation time in this study. For the simplicity purpose, this study only evaluate D 1 (t) while kept P 1 (t) as a constant for the simulations. Simulation results indicate that the solvent evaporation altered the aggregation mechanism in various degrees depending on the solvent evaporation rate. This research shows that the extended model based on the classic CCA model is valuable and applicable to open systems.

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Theoretical Study of the Reorganization of Fractal Aggregates by Diffusion

Cited by 5 publications

References 15 publications

Experimentally Justified Model-Like Description of Consolidation of Precipitated Silica

Experimentally Justified Model-Like Description of Consolidation of Precipitated Silica

Evidence of structural reorganization during aggregation of silica nanoparticles

Application of the Cluster–Cluster Aggregation model to an open system

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