College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China.
Int J Mol Sci. 2024 Jun 17;25(12):6654. doi: 10.3390/ijms25126654.
Mineral oils and synthetic and natural esters are the predominant insulating liquids in electrical equipment. Structure-activity relationship models to predict the key properties of pure insulating liquids, including pulse breakdown strengths, AC breakdown voltages, dielectric constants, flash points, and kinematic viscosities, have been proposed for the first time. Dependence of the specific properties on the molecular structures has been illustrated quantitatively in terms of surface area, statistical total variance, and average deviation of positive and negative electrostatic potentials, as augmented by molecular weight, volume, and ovality. Moreover, the individual contribution of the functional groups to viscosity has been revealed by an additive approach. The predicted properties are in good agreement with the experimental data. The present theoretical work provides new insights on the development of novel dielectric fluids.
矿物油、合成油和天然酯是电气设备中主要的绝缘液体。首次提出了结构-活性关系模型来预测纯绝缘液体的关键性能，包括脉冲击穿强度、交流击穿电压、介电常数、闪点和运动粘度。用表面积、统计总方差和正、负静电势的平均偏差，以及分子量、体积和椭圆率来定量说明特定性能对分子结构的依赖性。此外，通过加和方法揭示了官能团对粘度的单独贡献。预测的性质与实验数据吻合良好。本理论工作为新型电介质液体的开发提供了新的见解。
