Theoretical Models to Bridge Time Scales in Polymer Dynamics

Abstract: The dynamics of macromolecules are characterized by the presence of several length scales and related time scales in which relevant phenomena take place. This defines the complex nature of the liquid and renders its theoretical treatment a difficult matter.  The necessity of developing theoretical approaches that can describe in a comprehensive manner properties observed at many different length scales is a fundamental challenge in polymer physics.

We summarize some key problems arising from this challenge and different approaches taken so far to attempt to solve them.   Theoretical models play a pivotal role in building the infrastructure that allows one to model these multiscale properties. We present methods to coarse-grain the structure of soft-matter systems, which provide effective potentials that are input to multiscale simulations. We also present methods to coarse-grain the dynamics of macromolecules in dilute solutions and in the melt state. Although much progress has already been made, obtaining comprehensive theoretical tools that are efficient and reliable in predicting complex fluid dynamics across many time scales of interest still remains an open challenge.