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Royal Society of Chemistry, Polymer Chemistry, 22(13), p. 3304-3314, 2022

DOI: 10.1039/d1py01659h

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New mechanism for autoxidation of polyolefins: kinetic Monte Carlo modelling of the role of short-chain branches, molecular oxygen and unsaturated moieties

Journal article published in 2022 by Lies De Keer, Paul Van Steenberge ORCID, Marie-Françoise Reyniers ORCID, Ganna Gryn'ova ORCID, Heather M. Aitken ORCID, Michelle L. Coote ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

Using quantum-chemical calculations and kinetic modelling, we reveal the dominant reaction pathway in polymer autoxidation, (i) whether oxygen promotes or hamper degradation and (ii) how defects in the polymer backbone affect degradation.