AI Article Synopsis
- The text discusses computer simulations of colloidal suspensions using Langevin equations, which incorporate various forces acting on colloidal particles.
- A comparison of two modeling approaches—one that includes inertial terms and another based on a diffusional approximation—demonstrates both accurately predict key values like diffusion coefficients and particle residence times in clusters.
- Properly choosing the time step and including particle inertia leads to accurate average kinetic energy calculations, validating the full Langevin equations as a benchmark for other simulation methods.
Article 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.
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| http://dx.doi.org/10.1016/j.jcis.2008.06.017 | DOI Listing |
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