Stokesian dynamics simulations in the presence of van der Waals forces

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The development of a Lennard - Jones 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). The Lennard - Jones potential, determined from ab initio calculations for polyoxymethylene - polyoxymethylene interactions is added to a Stokesian Dynamics computational model in order to estimate the effect of a polymer coating on the behavior of suspended particles under sheared conditions. The relation between suspension microstructure, viscosity and their time evolution are studied in molecular dynamics - like simulations. © 1990.

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Mathematical and Computer Modelling