Flow-induced crystallization (FIC) involves an intricate interplay between polymer rheology and crystallization kinetics. Intense flows make crystallization occur faster, and the formation of crystallites increases the modulus and relaxation times of the crystallizing melt. The feedback loop arising from these co-operative effects makes FIC challenging to model, in particular for industrial-grade resins, which are characterized by broad polydispersity. Here, we introduce a molecular-based approach to model this phenomenon. In this approach, the slip-link model, which has been recently modified for crystallizing melts, is used as the rheological equation of state. The Schneider equations are used to quantify the evolution of morphology during crystallization. Rates of nucleation and growth, along with their dependencies on the flow-altered chain conformations, are formulated using insights from non-equilibrium molecular dynamics simulations. Using parameters determined from rheological and calorimetric experiments, FIC predictions are reported for a set of industrial-grade linear low-density polyethylene resins.

Modelling the co-operative effects of crystallization kinetics and rheology during flow-induced crystallization

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

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