Transport of Ions and Penetrants through Structured Polymeric Matrices: Interplay of Structure and Dynamics of Polymers

In this talk, I will discuss our recent work in the context of simulations of transport properties of structured polymeric matrices. While much earlier work has focused on these issues in the context of glassy homopolymeric membranes, there have been only a few isolated studies on the issues specific to structured polymeric matrices, such as those arising in block copolymers and nanocomposite membranes. Modeling and understanding the mechanistic features underlying the transport of ions and penetrants through such heterogeneous matrices is of interest to a wide range of applications, including, water purification, polymer batteries and fuel cell membranes. In our work, we have used a combination of multiscale simulations and nonequilibrium statistical mechanics models to shed light on the parameters influencing such transport properties.  In this talk, I will present results in the context of polymer nanocomposites and block copolymer electrolytes and discuss the ramifications for the design of batteries and polymer separation membranes.