Modeling cross scales in polymer upcycling

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.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemical Engineering

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2023

Author dc:creator

• Chen, Ziqiu

Contributors dc:contributor

• Peters, Baron G.
• Sing, Charles E.
• Jackson, Nick
• Mironenko, Alex

• Multiscale Modeling
• Polymer Upcycling

Statement dc:rights

• Copyright 2023 Ziqiu Chen

Language dc:language

en, eng

Handle dc:identifier

https://hdl.handle.net/2142/122010

OAI record oai:identifier

https://www.ideals.illinois.edu/oai-pmh?verb=GetRecord&metadataPrefix=etdms&identifier=oai%3Awww.ideals.illinois.edu%3A2142%2F122010