Modeling of morphogenesis of growing polyolefin particles

Abstract

A novel concept is introduced of modeling of the morphogenesis of polyolefin particles. The polymer particle is assumed to consist of a large number of microelements with binary and ternary viscoelastic interactions acting among individual microelements. These viscoelastic interactions are described by the Maxwell model and govern the morphogenesis process of the growing polymer particle. The rate of the growth of each particular microelement depends on the local catalyst activity and concentration of the monomer. Various types of morphologies of polymer particles are obtained when different viscoelastic properties and/or different reaction conditions are considered. Development of morphological features such as the formation of fine particles, cracks in polymer particles, hollow particles, good or poor replication of the shape of the original catalyst particle, and the evolution of the porous structure of polymer particle are used as illustrative examples. The presented approach thus represents a novel first-principles-based modeling of reaction-transport processes in dynamically evolving multiphase media. © 2005 American Institute of Chemical Engineers.