ArticleJournal of molecular modeling2014
Theoretical study on the mechanisms of polyethylene electrical breakdown strength increment by the addition of voltage stabilizers.
Article in Journal of molecular modeling, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 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
4 citing papers in PubMed.
- Theoretical Study on the Grafting Reaction of Benzophenone Compounds to Polyethylene in the UV Radiation Cross-Linking Process.Polymers · 2025Article
- Article
- Theoretical study on the grafting reaction of maleimide containing 2-hydroxy-benzophenone onto polyethylene.Journal of molecular modeling · 2021Article
- Enhancing the electro-mechanical properties of polydimethylsiloxane elastomers through blending with poly(dimethylsiloxane-RSC advances · 2018Article
Corrections and comments
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A theoretical investigation on the mechanisms of electrical breakdown strength increment of polyethylene at the atomic and molecular levels is accomplished. The addition of aromatic carbonyl and carboxyl compounds as voltage stabilizers may increase the electrical breakdown strength of polyethylene. The HOMO-LUMO energy gaps, the ionization potentials, the electron affinities, and the reorganization energies at the ground states of a series of aromatic carbonyl and carboxyl compounds are obtained at the B3LYP/6-311+G(d,p) level. The 24 isomerization reactions at the S₀ and T₁ states, including the harmonic vibration frequencies of the equilibrium geometries and the minimum energy path (MEP) by the intrinsic reaction coordinate (IRC) theory, are obtained at the same level. The results show that 4,4'-didodecyloxybenzil (Bd) molecule, which has much smaller HOMO-LUMO energy gap, much larger reorganization energy than others, and excellent compatibility with polymers matrix, can increase the electrical breakdown strength effectively. This result is in good agreement with the available experimental findings.
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Registered trials
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