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Annual Review of Chemical and Biomolecular Engineering

Volume 7, 2016

Computer Simulations of Ion Transport in Polymer Electrolyte Membranes

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.

Keyword(s): block copolymers, ionic liquids, lithium-ion batteries, molecular dynamics simulations, polymer nanocomposites, single ion conductors
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2016-06-07
2024-04-25
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Computer Simulations of Ion Transport in Polymer Electrolyte Membranes
Annual Review of Chemical and Biomolecular Engineering 7, 349 (2016); https://doi.org/10.1146/annurev-chembioeng-080615-034655
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