水分对变压器绝缘纸性能影响的分子动力学模拟  

Molecular Dynamics Simulation for Influence of Water on Power Transformer Insulation Paper

作　　者：朱孟兆[1] 廖瑞金[1] 杨丽君[1] 胡舰[1] 

机构地区：[1]重庆大学输配电装备及系统安全与新技术国家重点实验室,重庆400044

出　　处：《西安交通大学学报》2009年第4期111-115,共5页Journal of Xi'an Jiaotong University

基　　金：国家自然科学基金资助项目(50677073);国家杰出青年科学基金资助项目(50425722)

摘　　要：利用分子动力学模拟,对变压器绝缘纸的主要成分纤维素在有水环境下的性质进行了研究.为了进行对比,同时还对无水环境下纤维素的性质进行了模拟.通过分析纤维素链末端距的分布表明,水分子对纤维素链卷曲度有一定程度的影响,在有水环境下纤维素链的末端距要比无水环境下长一些.通过对纤维素中的氧原子与水分子中的氢原子的径向分布函数的分析,证实水分子与纤维素确实形成了氢键相互作用,但并没有完全代替纤维素中羟基间的氢键,也未代替糖苷键上的氧原子与羟基中氢原子之间形成的氢键.与无水环境下的纤维素相比,水分子主要是与部分羟基形成氢键,对糖苷键上的氧原子与羟基的氢原子之间形成的氢键相互作用影响很小,说明纤维素中的羟基比较活跃,这与实验得到的结论一致.Some properties of the cellulose of transformer insulation paper were investigated by comparison with those in non-aqueous environments via molecular dynamics simulation. The analysis for the end-to-end distance of a cellulose chain shows the influence of water to some extent. The end-to-end distance of the cellulose chain in aqueous environments gets longer than that in non-aqueous. The hydrogen bonds are confirmed by the analysis on the radial distribution function of oxygen atoms of the cellulose and hydrogen atoms of water. However, the hydrogen bonds between hydroxyl groups and between the oxygen atoms of indican bonds and the hydrogen atoms of water are not completely substituted by the hydrogen bonds formed between the oxygen atoms of cellulose and hydrogen atoms of water. Compared with those in non-aqueous environments, the hydrogen bonds that formed between the hydrogen atoms of water and the oxygen atoms of the cellulose are found mainly between water and hydroxyl groups , but hardly found between water and indican. It is concluded that hydroxyl groups are relatively active, which agrees with the conclusion obtained form the experiments.

关 键 词：绝缘纸 纤维素 分子动力学 有水环境 氢键 径向分布函数 

分 类 号：TM215[一般工业技术—材料科学与工程]