定量结构-性质关系模型在SF_6替代气体研究中的应用

Application of Quantitative Structure-Property Relationship Model in Research on SF_6 Alternative Gases

在理论上有针对性地筛选、设计可替代SF_6的环保型绝缘气体,可推动SF_6替代气体研究进程,并从微观层面理解SF_6分子结构参数与其绝缘性能之间的关系。为此,介绍了具备定量预测能力的定量构效关系模型中的定量结构-性质关系(quantitative structure-property relationship,QSPR)模型,关注QSPR模型对SF_6潜在替代气体的绝缘强度、沸点等电气性质或物化性质的预测。研究了模型的基本参数、构建准则、主要方法和步骤,提出QSPR模型现存的试验数据不健全、分子结构参数指向性差和缺乏有效定义域方法等问题,并讨论其在SF_6替代气体研究领域的应用前景与发展方向。

It is able to promote research on SF 6 alternative gases and understand relationship between SF 6 molecular structural parameters and its insulation property in microscopic view by screening and designing environmentally friendly insulating gases to replace SF 6 theoretically. Therefore, this paper introduces the quantitative structure-property relationship （QSPR） model in the quantitative structure-activity relationship （QSAR） model which has the ability of quantitative forecasting, and concerns prediction on electrical properties or physical-chemical properties such as electrical strength and boiling point of potential SF 6 alternative gases by the QSPR model. It also studies basic parameters, construction rules, main methods and steps for the model and raises problems such as defective existing experimental data of the QSPR model, bad directive property of molecular structure parameters, deficiency of effective definition domain methods, and so on. Meanwhile, it discusses application prospect and development direction of the QSPR model in research on SF 6 alternative gases