Brownian dynamics simulations of colloidal hard spheres. Effects of sample dimensionality on self-diffusion

The self-diffusion coefficients of colloidal hard spheres were determined by Brownian dynamics (BD) computer simulations using a new efficient algorithm for treatment of the hard-sphere interactions. Calculations were done on an Apple PC type MacIIcx and on a Micro VAX 3000, considering samples in two and three dimensions at varying particle concentrations. Our results in three dimensions are compared with experimental results from our own group which were obtained by forced Rayleigh scattering (FRS), and with numerical results from a dynamical Monte Carlo simulation by Cichocki and Hinsen. Good agreement with the latter was found for particle volume fractions up to 0.40. Differences in the dynamical behavior of our numerically treated 2D and 3D samples are discussed using a simple geometrical model to enable comparison of particle concentrations in samples with different dimensionality.