(40d) 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 ion conductivities 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 (i) Polymer nanocomposites; and (ii) Block copolymer
electrolytes, and discuss the ramifications for the design of batteries and
polymer separation membranes.