2026-09-19T03:59:06Zhttps://dspace.mit.edu/server/oai/requestoai:dspace.mit.edu:1721.1/1225342021-07-05T14:03:20Zcom_1721.1_7582com_1721.1_7581col_1721.1_131024
Adam P. Willard.
Chen, Songela Wenqian.
Massachusetts Institute of Technology. Department of Chemistry.
Massachusetts Institute of Technology. Department of Chemistry
2019-10-11T22:00:42Z
2019-10-11T22:00:42Z
2019
2019
https://hdl.handle.net/1721.1/122534
1121595952
Thesis: S.B., Massachusetts Institute of Technology, Department of Chemistry, 2019
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 31-32).
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.
by Songela Wenqian Chen.
S.B.
S.B. Massachusetts Institute of Technology, Department of Chemistry
32 pages
eng
Massachusetts Institute of Technology
MIT theses are protected by copyright. They may be viewed, downloaded, or printed from this source but further reproduction or distribution in any format is prohibited without written permission.
http://dspace.mit.edu/handle/1721.1/7582
Chemistry.
Modeling ion mobility in solid-state polymer electrolytes
Thesis
application/pdf
2019-10-11T22:00:41Z
Publication
Bachelor
Chem
unknown
unknown
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