Colloidal dynamics: influence of diffusion, inertia and colloidal forces on cluster formation
journal contributionposted on 12.06.2008 by Nina Kovalchuk, Victor Starov, Paul Langston, Nidal Hilal, Viacheslav G. Zhdanov
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Computer simulations of colloidal suspensions are discussed. The simulations are based on the Langevin equations, pairwise interaction between colloidal particles and take into account Brownian, hydrodynamic and colloidal forces. Comparison of two models, one taking into accout inertial term in Langevin equation and other based on diffusional approximation proposed in Ermak D.L., and McCammon J.A. J. Chem. Phys., 1978, 69, 1352 have shown that both models the prediction of the correct values of the diffusion coefficient and residence time of particle in a doublet and ere therefore suitable to study the dynamics of formation and breakage of clusters in colloidal suspensions. It is shown that the appropriate selection of the time step and taking into account inertia of particles provides also the correct value of the average kinetic energy of each particle during the simulations, what allows to use the model based on full Langevin equations as a reference model to verify the validity of the numerical scheme for simulation using diffusion approximation.
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