Ion-conducting polymer electrolyte membranes and electrode binders are central components to many types of electrochemical technologies (e.g., fuel cells and electrochemical separations). Ionic conductivity is an important property of these materials as it dictates the thermodynamic efficiency of electrochemical systems operated at high current density. Many studies correlate nanostructure attributes in polymer electrolytes to ionic conductivity; however, the impact of counterion condensation, a proxy for the extent and strength of ionic group dissociation in polymer electrolytes, on ionic conductivity has received less attention and is not clearly known. This talk highlights our effort to quantify counterion condensation in model thin film block copolymer electrolytes with precisely defined nanostructures afforded through the process of directed self-assembly. Advanced metrology (GI-SAXS, QCM, and 2D AFM) and all-atomistic molecular dynamics simulations show differences in counterion condensation for nanostructured and non-structured polymer electrolytes. The extent of counterion condensation in these materials is determined via identification of the Donnan equilibrium, quantifying the activity coefficients within the thin films, the radial distribution function from all-atomistic molecular dynamics, and using first principal calculations from Manning’s Theory of Counterion Condensation. The agreement and differences in these approaches will be discussed and the role of restricted and unrestricted water on counterion condensation will be presented.<br/>

Advanced metrology and molecular dynamics simulations for quantifying counterion condensation in block copolymer electrolyte thin films

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.