Unveiling the Micro-Mechanism of Functional Group Regulation for Enhanced Dielectric Properties in Novel Natural Ester Insulating Oil TME-C<sub>10</sub>
The functional groups in the molecular structure of natural ester insulating oil have a significant impact on its physicochemical and electrical properties. This article takes the novel synthetic ester TME-C<sub>10</sub> and traditional natural ester GT molecules as research objects, and...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/7/1431 |
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| Summary: | The functional groups in the molecular structure of natural ester insulating oil have a significant impact on its physicochemical and electrical properties. This article takes the novel synthetic ester TME-C<sub>10</sub> and traditional natural ester GT molecules as research objects, and based on density functional theory (DFT) calculations, systematically explores the micro-mechanism of the effects of C=C double bonds, ester groups (-COOC), and β-H groups on the performance of insulating oils. The results show that the chemical stability and anti-aging ability of the TME-C<sub>10</sub> molecule are significantly improved by eliminating the C=C double bond and β-H group. The electronic behavior of the TME-C<sub>10</sub> molecule is mainly controlled by the ester group (-COOC), while the GT molecule is significantly affected by the unsaturated C=C double bond, resulting in a significant difference in the mode of electronic transition between the two molecules: the TME-C<sub>10</sub> molecule shows the <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi mathvariant="normal">n</mi><mo>→</mo><msup><mi>σ</mi><mo>∗</mo></msup></mrow></semantics></math></inline-formula> transition, while the GT molecule is the <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mo>π</mo><mo>→</mo><msup><mo>π</mo><mo>∗</mo></msup></mrow></semantics></math></inline-formula> transition. In addition, the HOMO orbital energy level, electron transition energy, and ionization energy of the GT molecules are lower than those of the TME-C<sub>10</sub> molecules. Under the action of an external electric field, the TME-C<sub>10</sub> molecules exhibit excellent dielectric properties. In summary, the TME-C<sub>10</sub> molecules not only overcome the aging defects of traditional natural ester insulating oils, but also possess excellent insulation properties, making it a new type of insulating oil material with broad application prospects. |
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| ISSN: | 1420-3049 |