Modeling ion mobility in solid-state polymer electrolytes
Name
1121595952-MIT.pdf
Size
3.07 MB
Format
Adobe PDF
Checksum (MD5)
d9809b9bdd0f29481e601be1c7f4ba6d
Author(s)
Chen, Songela Wenqian.
Advisor(s)
Adam P. Willard.
Date Issued
2019
Publisher
Massachusetts Institute of Technology
Abstract
We introduce a course-grained model of ion diffusion in a solid-state polymer electrolyte. Among many tunable parameters, we investigate the effect of ion concentration, ion-polymer attraction, and polymer disorder on cation diffusion. For the conditions tested, we find that ion concentration has little effect on diffusion. Polymer disorder creates local variation in behavior, which we call "trapping" (low diffusion) and "free diffusing" (high diffusion) regions. Changing ion-polymer attraction modulates the relative importance of trapping and free diffusing behavior. Using this model, we can continue to investigate how a number of factors affect cation diffusion both mechanistically and numerically, with the end goal of enabling rapid computational material design.
Description
Thesis: S.B., Massachusetts Institute of Technology, Department of Chemistry, 2019
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 31-32).
Subjects
Chemistry.
MIT Department
Massachusetts Institute of Technology. Department of Chemistry
Terms of Use
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