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复合热稳定剂对绝缘纸协同抗老化效应子模拟研究

, PP. 330-337

Keywords: 绝缘纸,热稳定剂,抗老化,协同效应,计算量子化学,分子动力学

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Abstract:

为了从微观层面探究热稳定剂的复合添加对绝缘纸协同抗热老化特性的影响机理,以双氰胺、三聚氰胺为热稳定剂研究对象,对老化过程中的热稳定剂、β-D-吡喃葡萄糖分子、水分子和小分子酸等进行了量子化学计算,利用前线轨道理论考察了不同分子之间的化学反应活性。此外,采用分子动力学模拟软件,搭建了未添加、单一添加和复合添加热稳定剂的四种纤维素含水含酸模型,从纤维素与水分子、蚁酸分子的氢键结合数、相互作用能这两个方面考察了不同改性体系的差异及抗老化性能差异的机理。结果表明热稳定剂分子与水分子、小分子酸的化学反应活性要强于β-D-吡喃葡萄糖分子与这些物质的反应活性;两种热稳定剂分子分别与水分子、小分子酸的反应活性存在差异,复合添加可以集中二者的优势,起到协同延缓绝缘纸老化的效果;双氰胺与三聚氰胺的复合添加在降低纤维素分子对水分子、蚁酸分子的吸附能力上存在协同作用。

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