{"id":{"repo_id":"mit","oai_identifier":"oai:dspace.mit.edu:1721.1/122534"},"canonical_url":"https://search.dev.ndltd.org/etd/mit/oai:dspace.mit.edu:1721.1/122534","repository":{"repo_id":"mit","name":"MIT","base_url":"https://dspace.mit.edu/oai/request"},"display":{"title":"Modeling ion mobility in solid-state polymer electrolytes","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.","abstract_html":"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.","abstract_has_math":false,"creators":["Chen, Songela Wenqian."],"institution":"Massachusetts Institute of Technology","degree_name":"Bachelor","degree_level":null,"degree_discipline":null,"degree_department":"Massachusetts Institute of Technology. Department of Chemistry","school":null,"contributors":[],"advisors":["Adam P. Willard."],"committee_chairs":[],"committee_members":[],"year":2019,"date_issued":"2019","date_published":"2019","updated_at":"2026-07-22T22:21:36Z","subjects":["Chemistry."],"languages":["eng"],"rights":["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."],"rights_urls":["http://dspace.mit.edu/handle/1721.1/7582"],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/1721.1/122534","outbound_label":"Handle","outbound_source":"dc:identifier.uri"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor.advisor","label":"Advisor","values":["Adam P. Willard."]},{"key":"dc:contributor.department","label":"Department","values":["Massachusetts Institute of Technology. Department of Chemistry","Chem"]},{"key":"dc:contributor.other","label":"Dc Contributor Other","values":["Massachusetts Institute of Technology. Department of Chemistry."]},{"key":"dc:creator","label":"Author","values":["Chen, Songela Wenqian."]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date.accessioned","label":"Dc Date Accessioned","values":["2019-10-11T22:00:42Z"]},{"key":"dc:date.available","label":"Dc Date Available","values":["2019-10-11T22:00:42Z"]},{"key":"dc:date.issued","label":"Date","values":["2019"]},{"key":"dc:publisher","label":"Institution","values":["Massachusetts Institute of Technology"]},{"key":"dc:type","label":"Dc Type","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Bachelor"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Chemistry."]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language.iso","label":"Language (ISO)","values":["eng"]},{"key":"dc:rights","label":"Dc Rights","values":["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."]},{"key":"dc:rights.uri","label":"Rights URI","values":["http://dspace.mit.edu/handle/1721.1/7582"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier.uri","label":"Identifier URI","values":["https://hdl.handle.net/1721.1/122534"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Thesis: S.B., Massachusetts Institute of Technology, Department of Chemistry, 2019","Cataloged from PDF version of thesis.","Includes bibliographical references (pages 31-32)."]},{"key":"dc:description.abstract","label":"Abstract","values":["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."]},{"key":"dc:description.degree","label":"Dc Description Degree","values":["S.B."]},{"key":"dc:title","label":"Title","values":["Modeling ion mobility in solid-state polymer electrolytes"]}]}],"canonical_facts":{"dc:contributor.advisor":["Adam P. Willard."],"dc:contributor.department":["Massachusetts Institute of Technology. Department of Chemistry","Chem"],"dc:contributor.other":["Massachusetts Institute of Technology. Department of Chemistry."],"dc:creator":["Chen, Songela Wenqian."],"dc:date.accessioned":["2019-10-11T22:00:42Z"],"dc:date.available":["2019-10-11T22:00:42Z"],"dc:date.issued":["2019"],"dc:description":["Thesis: S.B., Massachusetts Institute of Technology, Department of Chemistry, 2019","Cataloged from PDF version of thesis.","Includes bibliographical references (pages 31-32)."],"dc:description.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."],"dc:description.degree":["S.B."],"dc:identifier.uri":["https://hdl.handle.net/1721.1/122534"],"dc:language.iso":["eng"],"dc:publisher":["Massachusetts Institute of Technology"],"dc:rights":["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."],"dc:rights.uri":["http://dspace.mit.edu/handle/1721.1/7582"],"dc:subject":["Chemistry."],"dc:title":["Modeling ion mobility in solid-state polymer electrolytes"],"dc:type":["Thesis"],"thesis:degree_name":["Bachelor"]},"updated_at":"2026-07-22T22:21:36Z"}