Analysis of Influence of Insulating Resin Paint Film on Enameled Wire Properties Based on Molecular Simulation
Abstract
:1. Introduction
2. Computational Methods
2.1. DMol3
2.2. Forcite
3. Results and Discussions
3.1. Adsorption Energy of Physical Adsorption
3.2. Frontier Orbitals (HOMO and LUMO)
3.3. Band Structure and Density of States
3.4. Dynamics Simulation
4. Conclusions
- The absolute value of the adsorption energy of PI and PAI molecules is relatively large, and the adsorption effect is better, so the enameled wire made of PI and PAI has better adhesion performance.
- The HOMO–LUMO gap between PET and PAI is larger, and the possibility of chemical change is lower than that of PEI and PI, indicating that PET and PAI are more stable.
- The band gap of PET is the largest among the four materials, followed by PEI, and the band gap of PI molecule is the smallest. Therefore, we can give preference to PET insulating paint when the insulating paint of the enameled wire has high requirements for insulation performance.
- The total energy and enthalpy of PAI, PET, PEI, and PI increases with the increase of compressive strain and decrease with the increase of tensile strain. The correlation between energy and strain of PAI and PI is relatively high, and the flexibility of the enameled wire made of PAI and PI resin paint is better than that of PET and PEI.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
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Types | ||||
---|---|---|---|---|
Polyamide–imide | −741,827.337 | −247,235,809.960 | −247,977,765.974 | −128.677 |
Polyester | −431,390.392 | −98,820,241.886 | −99,251,749.028 | −116.750 |
Polyesterimide | −1,783,765.813 | −36,597,135.761 | −38,381,021.702 | −120.128 |
Polyimide | −892,885.203 | −148,690,935.521 | −149,583,956.785 | −136.061 |
Types | HOMO [eV] | LUMO [eV] | [eV] |
---|---|---|---|
Polyamide–imide | −5.5431 | −3.3525 | −2.1906 |
Polyester | −6.4111 | −2.8654 | −3.5457 |
Polyesterimide | −5.1866 | −3.6791 | −1.5075 |
Polyimide | −5.3689 | −4.0600 | −1.3089 |
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Zhang, Z.; Wu, Z.; Zhang, H.; Cheng, Y.; Ren, H. Analysis of Influence of Insulating Resin Paint Film on Enameled Wire Properties Based on Molecular Simulation. Coatings 2022, 12, 1352. https://doi.org/10.3390/coatings12091352
Zhang Z, Wu Z, Zhang H, Cheng Y, Ren H. Analysis of Influence of Insulating Resin Paint Film on Enameled Wire Properties Based on Molecular Simulation. Coatings. 2022; 12(9):1352. https://doi.org/10.3390/coatings12091352
Chicago/Turabian StyleZhang, Zhongli, Zhensheng Wu, Huiyuan Zhang, Yibin Cheng, and Hao Ren. 2022. "Analysis of Influence of Insulating Resin Paint Film on Enameled Wire Properties Based on Molecular Simulation" Coatings 12, no. 9: 1352. https://doi.org/10.3390/coatings12091352
APA StyleZhang, Z., Wu, Z., Zhang, H., Cheng, Y., & Ren, H. (2022). Analysis of Influence of Insulating Resin Paint Film on Enameled Wire Properties Based on Molecular Simulation. Coatings, 12(9), 1352. https://doi.org/10.3390/coatings12091352