ArticlePolymers2021
Quantum Mechanical Investigation of the Oxidative Cleavage of the C-C Backbone Bonds in Polyethylene Model Molecules.
Article in Polymers, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
5 citing papers in PubMed, 25 citations in OpenAlex.
- Bionanotechnology at microplastic and nanoplastic interfaces: detection, adsorption and degradation.Nano convergence · 2026Review
- Advances in polyethylene biodegradation and bioconversion: Microbial, enzymatic, and biotechnological insights.Engineering microbiology · 2026Review
- Article
- Microbial enzymes will offer limited solutions to the global plastic pollution crisis.Microbial biotechnology · 2023Review
- Mechanism-Based Design of Efficient PET Hydrolases.ACS catalysis · 2022Review
Corrections and comments
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Authors and funding
7 authors at 2 institutions in 2 countries.
Funding
Abstract
Recalcitrant plastic waste has caused serious global ecological problems. There is an urgent need to develop environmentally friendly and efficient methods for degrading the highly stable carbon skeleton structure of plastics. To that end, we used a quantum mechanical calculation to thoroughly investigate the oxidative scission of the carbon-carbon (C-C) backbone in polyethylene (PE). Here, we studied the reaction path of C-C bond oxidation via hydroxyl radical in PE. The flexible force constants and fuzzy bond orders of the C-C bonds were calculated in the presence of one or more carbocations in the same PE carbon chain. By comparison, the strength of the C-C bond decreased when carbocation density increased. However, the higher the density of carbocations, the higher the total energy of the molecule and the more difficult it was to be generated. The results revealed that PE oxidized to alcohol and other products, such as carboxylic acid, aldehyde and ketone, etc. Moreover, the presence of carbocations was seen to promote the cleavage of C-C backbones in the absence of oxygen.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.