Topics in Computational Polymer Physics

Abstract

Polymer physics studies the mechanical properties and kinetics of monomers and polymers. In this research, we study molecular dynamics and growing self-avoiding walks on basic levels. For the molecular dynamics, we wish to learn how equilibrium poly[n]catenanes behave so we can compare experiments to theory. To do so we simulate [2]catenanes, starting with straightforward simulations and then simulations with more complex collisions. However, before we do that, we make sure that Brownian dynamics algorithms can reproduce known physics to understand the scaling exponents relating physical properties of the polymer systems of interest. When we realize that our Brownian dynamics algorithms work on single polymer chains, we attempt to obtain the equilibrium properties of [2]catenanes and see how hydrodynamics affect them. Moreover, the latter part of this letter; i.e., the growing self-avoiding walk section, is a continuation of a study set about by Wyatt Hooper and Alex Klotz. The growing self-avoiding walk model has only been inspected on a lattice and it is obscure how much of the actual effects are due to the lattice. Therefore, we simulate it off any lattice to find more general principles governing the walk.