Modeling the thermodynamics and kinematics of spherical particle dispersion in polymer melts: Model derivation and simulation analysis

A cohesive binding-force-based model has been developed to predict solid particulate agglomerate break up in fluids sheared volumes leading to particle dispersion in polymer melt extrusion processes. Particle-particle, particle-polymer, and particle-modifier-polymer interactions are modeled using adaptions from Hamaker's approach. This leads to an analytical molecular attraction approach that captures the effects of: (1) particle-particle agglomerate cohesion based on material properties and structure, (2) the effect of surface modifiers on cohesive strength and particle separation, (3) polymer wetting and melt adhesion leading to medium-agglomerate stress transfer, (4) applied fluid mechanical stress and melt temperature, and (5) residence time. In this paper, the model is evaluated, and several predicted effects of processing parameters on reduction of agglomerate size are calculated and graphically presented from this phase of the research. The predicted trends are consistent with the published data in the literature.