Abstract
Polydispersity plays an important role in polymer physics influencing both processing approaches and final properties. Despite the obvious physical importance of polydispersity, studies usually simulate monodisperse chains or occasionally, a few different chain lengths. This work presents a comprehensive methodology for mapping various molecular weight distributions onto a finite number of lattice chains. The use of a lattice in the present derivation enables a variety of lattice-based simulations to incorporate polydispersity. Examples are provided by extending the cooperative motion (COMOTION) algorithm for polydispersity to create the “polydisperse cooperative motion algorithm” (p-COMOTION). The dynamic version of p-COMOTION captures the dynamics of entangled polydisperse melts. For the same weight-averaged molecular weight, polydispersity gives a lower Rouse time and introduces a broadening of the reptation transition. In addition, when adapted into the cooperative motion with flow (COMOFLO) algorithm...
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