基于二阶微扰理论的油中溶解气体拉曼检测数据分析研究  

Analysis on the Raman Spectra of Gases Dissolved in Transformer Oil Based on Second-order Moller-Plesset Perturbation Theory

作　　者：陈新岗[1,2,3] 李昌鑫 冯煜轩 赵唐 余兵 CHEN Xingang;LI Changxin;FENG Yuxuan;ZHAO Tang;YU Bing(Chongqing University of Technology,Chongqing 400054,China;State Key Laboratory of Power Transmission Equipment ＆ System Security and New Technology,Chongqing University,Chongqing 400030,China;Chongqing Engineering Research Center of Energy Internet,Chongqing 400054,China)

机构地区：[1]重庆理工大学,重庆400054 [2]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400030 [3]重庆市能源互联网工程技术研究中心,重庆400054

出　　处：《高压电器》2018年第9期117-122,共6页High Voltage Apparatus

基　　金：重庆市教委科学技术研究项目(KJ1400917;KJ1709225);重庆理工大学研究生创新项目(ycx2018230)~~

摘　　要：为了实现变压器油中特征气体拉曼光谱数据的定量分析,文中基于二阶微扰理论(MP2)在6-31G(d)的基组上针对油中溶解的7种特征气体分子进行了结构优化,建立了分子拉曼简振模型,并得到了7种气体分子优化后的键长、键角和谱峰归属信息;通过拉曼光谱实验平台,在同一条件下对相同浓度的7种特征气体样本和不同浓度的多组CH4气体样本完成拉曼检测,得到H_2、C0、CO_2、CH_4、C_2H_2、C_2H_4和C_2H_6的实测光谱数据;结合分子拉曼仿真结果,确定了7种气体的实验参考拉曼频移并提出了基于多原子分子不同频移处多个拉曼谱峰数据在定量分析中应用的方法;通过多参数回归方式得到了CH_4在2 878 cm^(-1)和2 982 cm^(-1)频移处谱峰面积同气体体积分数之间的关系方程式,结果验证了分子理论模型仿真以及多参数回归方式的可靠性,为变压器故障诊断中拉曼光谱数据定量分析方法提供了新思路。To achieve quantitative analysis of Raman spectra of the characteristic gases in transformer oil, the molec- ular structure optimization and vibration model of seven dissolved gases in transformer oil was set up. Based on the second-order Moller-Plesset perturbation theory（MP2 ）on 6-31 G（d）basis set, the bond length, bond angle and spectral peak ascription information of the seven gases＇ s molecules after optimization were obtained. On the Raman detection test platform, the Raman detection of the seven characteristic gas samples with same concentrations and the CH4 samples with different concentrations was completed, and the spectral information of H2, CO, CO2, CH4, C2H2, C2H4 and C2H6 was obtained. Combining with the molecular Raman vibration theory, a method for quantitative analysis based on multiple Raman peak data at different frequency shifts of polyatomic molecules was put forward. Through multi-parameter regression, the equation of the relationship between the CH4 spectrum＇ s peak areas at the frequency shifts of 2 878 cm-1 and 2 982 cm-1 and the gas concentration was achieved. The reliability of the molecular theory model and the multi-parameter regression approach is verified, which may provide a new idea for quantitative analysis of Raman spectrum in transformer fault diagnosis.

关 键 词：变压器 特征气体 二阶微扰理论 拉曼光谱 多参数回归 

分 类 号：TM855[电气工程—高电压与绝缘技术]