偏最小二乘法同时测定硝基甲苯异构体  

Partial Least Squares Method for Simultaneous Spectrophotometric Determination of Three Nitrotoluene Isomers

作　　者：王丽平[1] 董雄辎[1] 司圣柱[1] 

机构地区：[1]合肥师范学院化学化工系,安徽合肥230601

出　　处：《合肥师范学院学报》2013年第6期46-48,共3页Journal of Hefei Normal University

摘　　要：在波长范围220-370nm,间隔0.2nm,测定了三种硝基甲苯异构体混合物乙醇溶液的吸光度数据,并用偏最小二乘法进行回归分析,结果显示邻硝基甲苯、间硝基甲苯和对硝基甲苯的回收率分别在98.225%-101.19%、100.25%-103.09%和99.547-100.94%之间。从计算结果可以看出,偏最小二乘法具有良好的预测效果,可用于多组分混合物的同时测定。Ternary mixtures of nitrotoluene isomers have been simultaneously determined by application of spectrophotometric and partial least squares model. Spectra of ternary mixtures between 220--370nm wavelengths by 0. 2nm intervals were recorded, and the experimental data were computed by Partial Least Squares （PLS） Method. The recoveries of o-nitrotoluene, m-nitrotoluene and p-nitrotoluene are 98. 225% --101.19%,100. 25%--103. 09% and 99. 547--100. 94%, respectively. The results show that PLS is an efficient chemometrics method applied for prediction of the three analytes.

关 键 词：硝基甲苯 同时测定 分光光度法 偏最小二乘法 

分 类 号：O241.5[理学—计算数学]