(589e) Invited Talk: Using PRISM Theory and Molecular Simulations to Link Polymer Architecture to Structure and Thermodynamics at the Nanoscale in Polymer Solutions

In this talk, I will present our recent work using molecular dynamics simulations and Polymer Reference Interaction Site Model (PRISM) theory aimed at understanding effects of non-linear polymer architecture on structure and thermodynamics within polymer solutions. Specifically, I will show the impact of using cyclic and bottle-brush polymer architectures versus linear architectures on the chain conformations and polymer-solvent effective Flory-Huggins χ parameter in case of homopolymer solutions and the micellization behavior in the case of copolymer solutions. I will also compare our computational results with experimental results from our collaborators in both studies.