{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/122010"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/122010","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Modeling cross scales in polymer upcycling","abstract":"Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-03-01 without embargo terms","abstract_html":"Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-03-01 without embargo terms","abstract_has_math":false,"creators":["Chen, Ziqiu"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"Ph.D.","degree_level":"Dissertation","degree_discipline":"Chemical Engineering","degree_department":null,"school":null,"contributors":["Peters, Baron G.","Sing, Charles E.","Jackson, Nick","Mironenko, Alex"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2023,"date_issued":"2023-12","date_published":"2023-12","updated_at":"2026-07-22T22:25:00Z","subjects":["Multiscale Modeling","Polymer Upcycling"],"languages":["en","eng"],"rights":["Copyright 2023 Ziqiu Chen"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"https://hdl.handle.net/2142/122010","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Peters, Baron G.","Sing, Charles E.","Jackson, Nick","Mironenko, Alex"]},{"key":"dc:creator","label":"Author","values":["Chen, Ziqiu"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2023-12","2023-11-27"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Chemical Engineering"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Dissertation"]},{"key":"thesis:degree_name","label":"Degree Name","values":["Ph.D."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Multiscale Modeling","Polymer Upcycling"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en","eng"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2023 Ziqiu Chen"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["https://hdl.handle.net/2142/122010"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-03-01 without embargo terms","The student, Ziqiu Chen, accepted the attached license on 2023-11-21 at 14:20.","The student, Ziqiu Chen, submitted this Dissertation for approval on 2023-11-21 at 14:25.","This Dissertation was approved for publication on 2023-11-27 at 17:02.","DSpace SAF Submission Ingestion Package generated from Vireo submission #19994 on 2024-03-01 at 13:14:57","The escalating environmental concerns stemming from plastic waste have led to an urgent need for the management of polymer materials. Chemical recycling has become a promising method for waste treatment. And polymer upcycling is the development and exploration of sustainable methodologies that can valorize plastic wastes under mild reaction conditions. By repurposing and reusing polymer materials through upcycling processes, it minimizes the need for virgin plastics and reduces the strain on natural resources. This aids in conserving raw materials, energy, and reducing the carbon footprint associated with traditional plastic production. While many experimental efforts have been put into this area. There are few that model the reaction mechanism then extract kinetic parameters and make predictions based on it. In this thesis, we will show modeling across scales in the polymer upcycling, up to the molecular scale that studies the polymer distributions in the reactor, down to atomic scale that go depth into reaction mechanisms. We also used appropriate mathematical and physical models and equations to describe the process, such as population balance models, statistical mechanics, Mason-Weaver theory, microkinetic models, etc. By analyzing the depolymerization experiments, we hope to provide an insight into reaction and reactor design to optimize selectivity, efficiency, and yield."]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Modeling cross scales in polymer upcycling"]}]}],"canonical_facts":{"dc:contributor":["Peters, Baron G.","Sing, Charles E.","Jackson, Nick","Mironenko, Alex"],"dc:creator":["Chen, Ziqiu"],"dc:date":["2023-12","2023-11-27"],"dc:description":["Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2024-03-01 without embargo terms","The student, Ziqiu Chen, accepted the attached license on 2023-11-21 at 14:20.","The student, Ziqiu Chen, submitted this Dissertation for approval on 2023-11-21 at 14:25.","This Dissertation was approved for publication on 2023-11-27 at 17:02.","DSpace SAF Submission Ingestion Package generated from Vireo submission #19994 on 2024-03-01 at 13:14:57","The escalating environmental concerns stemming from plastic waste have led to an urgent need for the management of polymer materials. Chemical recycling has become a promising method for waste treatment. And polymer upcycling is the development and exploration of sustainable methodologies that can valorize plastic wastes under mild reaction conditions. By repurposing and reusing polymer materials through upcycling processes, it minimizes the need for virgin plastics and reduces the strain on natural resources. This aids in conserving raw materials, energy, and reducing the carbon footprint associated with traditional plastic production. While many experimental efforts have been put into this area. There are few that model the reaction mechanism then extract kinetic parameters and make predictions based on it. In this thesis, we will show modeling across scales in the polymer upcycling, up to the molecular scale that studies the polymer distributions in the reactor, down to atomic scale that go depth into reaction mechanisms. We also used appropriate mathematical and physical models and equations to describe the process, such as population balance models, statistical mechanics, Mason-Weaver theory, microkinetic models, etc. By analyzing the depolymerization experiments, we hope to provide an insight into reaction and reactor design to optimize selectivity, efficiency, and yield."],"dc:format":["application/pdf"],"dc:identifier":["https://hdl.handle.net/2142/122010"],"dc:language":["en","eng"],"dc:rights":["Copyright 2023 Ziqiu Chen"],"dc:subject":["Multiscale Modeling","Polymer Upcycling"],"dc:title":["Modeling cross scales in polymer upcycling"],"dc:type":["text"],"thesis:degree_discipline":["Chemical Engineering"],"thesis:degree_level":["Dissertation"],"thesis:degree_name":["Ph.D."],"thesis:institution_name":["University of Illinois at Urbana-Champaign"]},"updated_at":"2026-07-22T22:25:00Z"}