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随着电力负荷激增和电压水平不断提高，绝缘纸的力学性能和热稳定性面临着严峻挑战．然而，由于缺乏直接的科学理论或模拟指导，传统低效的“试错性”试验难以快速高效地研发新型纤维素复合绝缘纸．针对这一问题，本文提出通过分子动力学模拟，研究纳米氧化锌(nano-ZnO)对纤维素的力学和热学性能的提升效果．首先设计了nano-ZnO/纤维素复合材料模型，然后从微观角度分析了不同nano-ZnO含量的改性纤维素的力学性能和热稳定性，从而确定nano-ZnO和纤维素的最佳配比．结果表明，相比于未改性模型，nano-ZnO改性纤维素模型的力学性能、内聚能密度、玻璃化转变温度和导热系数均有提升，弹性模量最高提升了45.31%，导热系数最高提升了41.49%．因为nano-ZnO的加入能够有效填充纤维网络中的空隙，并增强纤维素链之间的作用力和导热通道，从而提升纤维素的热力学性能．本工作为可快速制备出具有优良热力学性能的改性纤维素绝缘纸提供有价值的理论参考．With the surge in electrical loads and increasing voltage levels, insulating paper's mechanical performance and thermal stability face severe challenges. However, due to the lack of direct scientific theories or simulation guidance, traditional inefficient "trial-and-error" experiments struggle to develop new cellulose composite insulating papers efficiently. Addressing this issue, this paper proposes studying the enhancement effects of nanoscale zinc oxide (nano-ZnO) on the mechanical and thermal properties of cellulose through molecular dynamics simulations. Initially, a model of nano-ZnO/cellulose composite material is designed, followed by a microscopic analysis of the mechanical performance and thermal stability of modified cellulose with varying nano-ZnO content, thus determining the optimal ratio of nano-ZnO to cellulose. The results indicate that compared to the unmodified model, the mechanical performance, cohesive energy density, glass transition temperature, and thermal conductivity of the nano-ZnO-modified cellulose model are all improved, with the highest increase in elastic modulus reaching 45.31% and the highest increase in thermal conductivity reaching 41.49%. The addition of nano-ZnO effectively fills the gaps in the fiber network and enhances the interactions between cellulose chains and thermal conduction channels, thereby improving the thermodynamic performance of cellulose. This work provides valuable theoretical references for rapidly preparing modified cellulose insulating papers with excellent thermodynamic performance.
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Keywords:
- Insulating paper /
- Nano-ZnO /
- Mechanical properties /
- Thermal stability
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