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Local Structure Evolution in Particle Network Formation Studied by Brownian Dynamics Simulation

✍ Scribed by Markus Hütter


Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
684 KB
Volume
231
Category
Article
ISSN
0021-9797

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✦ Synopsis


The effect of solid content and colloidal interactions on the structure of forming networks of colloidal particles is studied by Brownian dynamics simulation. The different situations are compared in terms of the pair distribution function and the distribution of nearest neighbors around each particle. The results indicate that, in fast coagulation, the higher solid contents lead to a freezingin of the liquid structure. Nevertheless, this effect can be reduced substantially by the introduction of a shallow secondary minimum and an energy barrier in the interaction potential. However, the structures resulting from such slow coagulation show a substantial degree of porosity, larger than those produced at the same solid content but by fast coagulation. It is also shown how the porosity (defined on a few particle diameters) is reflected in the distribution of nearest neighbors around the center particle, i.e., the very local conformation in the particle network. Fractal analysis shows that, at the relatively high volume fractions considered in this study, no intermediate fractal regime exists.


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Here d is the distance between the equimolecular dividing Small clusters composed of 64, 94, 125, 190, 256, and 512 water surface with the radius R e and the surface of tension with molecules have been studied by molecular dynamics simulations radius R s , i.e., d Å R e 0 R s and, to be precise, R s