Computer Simulations of Ion Transport in Polymer Electrolyte Membranes

Author:

Mogurampelly Santosh1,Borodin Oleg2,Ganesan Venkat1

Affiliation:

1. Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712;

2. Electrochemistry Branch, RDRL-SED-C, US Army Research Laboratory, Adelphi, Maryland 20783-1138;

Abstract

Understanding the mechanisms and optimizing ion transport in polymer membranes have been the subject of active research for more than three decades. We present an overview of the progress and challenges involved with the modeling and simulation aspects of the ion transport properties of polymer membranes. We are concerned mainly with atomistic and coarser level simulation studies and discuss some salient work in the context of pure binary and single ion conducting polymer electrolytes, polymer nanocomposites, block copolymers, and ionic liquid–based hybrid electrolytes. We conclude with an outlook highlighting future directions.

Publisher

Annual Reviews

Subject

Renewable Energy, Sustainability and the Environment,General Chemical Engineering,General Chemistry

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