Issue 45, 2022

Population balance models for polymer upcycling: signatures of the mechanism in the molecular weight evolution

Abstract

Chemical and catalytic upcycling processes could help realize a circular plastics economy, but current models for testing mechanistic hypotheses and designing catalysts remain primitive. This work shows how proposed catalytic mechanisms can be incorporated into population balance models to predict the time evolution of molecular weight distributions. We develop models for homogeneous and heterogeneous catalysts, including catalysts that cut at chain ends and catalysts that cut at random locations. For heterogeneous catalysts, we illustrate the effect of adsorption constants that depend on polymer chain length. We discuss ongoing efforts and challenges in measuring and modeling the time evolving molecular weight distributions in polymer upcycling processes.

Graphical abstract: Population balance models for polymer upcycling: signatures of the mechanism in the molecular weight evolution

Article information

Article type
Paper
Submitted
11 iyn 2022
Accepted
31 okt 2022
First published
03 noy 2022

J. Mater. Chem. A, 2022,10, 24084-24095

Author version available

Population balance models for polymer upcycling: signatures of the mechanism in the molecular weight evolution

R. Yappert and B. Peters, J. Mater. Chem. A, 2022, 10, 24084 DOI: 10.1039/D2TA04628H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements