Stokesian dynamics simulation of polyether-coated particles in a shear flow

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The development of a Lennard-Jones-type polymer-polymer interaction model is described, appropriate for monolayer polymer coatings on spherical solid particles suspended in a polymer fluid. This model is appropriate for polymer-coated particles interacting at very close proximity (angstroms). These molecular forces, derived from ab initio calculations for polyoxymethylene- polyoxymethylene interactions are added to the hydrodynamic forces of a Stokesian dynamics simulation in order to estimate the effect of a polymer coating on the behavior of suspended particles under sheared conditions. The relation between suspension microstructure, shear velocity, and their time evolution are studied in molecular-dynamics-like simulations. © 1990 The American Physical Society.

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Physical Review A