化学计量学方法同时测定铁、铝和铍  

Simultaneous Determination of Iron,Aluminum and Beryllium by Chemometric Method

作　　者：薛永林[1] 任守信[1] 赵志超[1] 高玲[1] 

机构地区：[1]内蒙古大学化学化工学院,内蒙古呼和浩特010021

出　　处：《分析科学学报》2010年第5期543-546,共4页Journal of Analytical Science

基　　金：国家自然科学基金(No.20667002;60762003);内蒙古自然科学基金(No.2009MS0209)

摘　　要：采用正交信号校正(OSC)-小波包变换(WPT)-偏最小二乘法(PLS)(OSCW-PTPLS)相结合的化学计量学方法,用于不经化学分离解析光谱严重重叠的Fe(Ⅲ)、Al(Ⅲ)和Be(Ⅱ)混合物。该法结合OSC,WPT和PLS三种技术提高了获取特征信息的能力和回归质量。本文测定的三种金属离子可与铬天青S和溴化十六烷基吡啶(CPB)在pH=5.60的邻苯二甲酸氢钾-NaOH缓冲溶液中发生高灵敏度和低选择性的显色反应。设计了一个名为POSCWPTPLS的程序来执行相关计算。实验结果显示OSCWPTPLS方法优于PLS方法。A method,named as OSCWPTPLS,based on partial least square（PLS）regression with orthogonal signal correction（OSC）and wavelet packet transform（WPT）as pre-processed tools was developed for resolving the mixture of Fe（Ⅲ）,Al（Ⅲ）and Be（Ⅱ）with severe overlapping spectra without separation.The method combines the ideas of OSC and WPT with PLS regression for enhancing the ability in the extraction of characteristic information and the quality of regression.The three metal ions determined can react with chromazurol S and cetyl pyridinium bromide（CPB）in the potassium hydrogen phthalate-sodium hydroxid buffer solution at pH=5.6 to form ternary coloured complexes with high sensitivity and poor selectivity.A program named as POSCWPTPLS was designed to perform the relative calculation.Experimental results showed the OSCWPTPLS method was successful and better than PLS methods.

关 键 词：化学计量学 正交信号校正 小波包变换 偏最小二乘法 同时测定 

分 类 号：O657.3[理学—分析化学]