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Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Aug;70(2):021405. doi: 10.1103/PhysRevE.70.021405. Epub 2004 Aug 31.

Brownian dynamics simulations of Laponite colloid suspensions.

Physical review. E, Statistical, nonlinear, and soft matter physics

G Odriozola, M Romero-Bastida, F de J Guevara-Rodríguez

Affiliations

  1. Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, 07730 México, Distrito Federal, Mexico. [email protected]

PMID: 15447489 DOI: 10.1103/PhysRevE.70.021405

Abstract

Colloidal suspensions of Laponite clay platelets are studied by means of Brownian dynamics simulations. The platelets carry discrete charged sites which interact via a Yukawa potential. As in the paper by S. Kutter et al. [J. Chem. Phys. 112, 311 (2000)], two models are considered. In the first one all surface sites are identically negative charged, whereas in the second one, rim charges of opposite sign are included. These models mimic the behavior of the Laponite particles in different media. They are employed in a series of simulations for different Laponite concentrations and for two values of the Debye length. For the equilibrium states, the system structure is studied by center-to-center and orientational pair distribution functions. Long-time translational and rotational self-diffusion coefficients are computed by two different methods, which yield very similar results.

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