Mogurampelly Santosh, Borodin Oleg, Ganesan Venkat
Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712; email:
Electrochemistry Branch, RDRL-SED-C, US Army Research Laboratory, Adelphi, Maryland 20783-1138; email:
Annu Rev Chem Biomol Eng. 2016 Jun 7;7:349-71. doi: 10.1146/annurev-chembioeng-080615-034655. Epub 2016 Apr 6.
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.
三十多年来，了解聚合物膜中的离子传输机制并对其进行优化一直是活跃的研究课题。我们概述了聚合物膜离子传输特性建模与模拟方面的进展和挑战。我们主要关注原子尺度和更粗粒度水平的模拟研究，并在纯二元和单离子导电聚合物电解质、聚合物纳米复合材料、嵌段共聚物以及离子液体基混合电解质的背景下讨论一些重要工作。最后，我们展望未来方向。
