title: Colloidal dynamics: influence of diffusion, inertia and colloidal forces on cluster formation.
abstract: 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 account inertial term in Langevin equation and another based on diffusional approximation proposed in [D.L. Ermak, J.A. McCammon, J. Chem. Phys. 69 (1978) 1352], has shown that both models enable the prediction of the correct values of the diffusion coefficient and residence time of particle in a doublet and are 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.
authors.affiliation: Department of Chemical Engineering, Loughborough University, Loughborough, LE11 3TU, UK.
authors.forename: Nina
authors.initials: N
authors.lastname: Kovalchuk
authors.forename: Victor
authors.initials: V
authors.lastname: Starov
authors.forename: Paul
authors.initials: P
authors.lastname: Langston
authors.forename: Nidal
authors.initials: N
authors.lastname: Hilal
authors.forename: Viacheslav
authors.initials: V
authors.lastname: Zhdanov
mesh_terms: D003102:Colloids / Q000737:chemistry*; D003198:Computer Simulation; D004058:Diffusion; D004355:Drug Stability; D008962:Models, Theoretical
chemical_list: D003102:Colloids