Rodionova Oxana Ye, Tikhomirova Tatyana I, Pomerantsev Alexey L
Semenov Institute of Chemical Physics RAS, Kosygin Str. 4, 119991 Moscow, Russia.
Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russia.
Anal Chim Acta. 2015 Apr 15;869:59-67. doi: 10.1016/j.aca.2015.02.037. Epub 2015 Feb 14.
Noninvasive analytical control is of special interest for the complicated and hazardous production processes. On-line monitoring provides a unique opportunity to determine critical concentrations rapidly and without serious risks to operating personnel and the environment. Models for quantitative determination of concentrations of Rare Earth Elements in complex mixtures in nitric acid serve for these purposes. Here, the feasibility of simultaneous determination of cerium, praseodymium, and neodymium using the whole UV-vis spectroscopic range, together with chemometric data processing, is studied. The predictability of two chemometric techniques, partial least squares regression and correlation constrained multivariate curve resolution-alternating least squares are compared. Models' performances are analyzed in out-of-control cases.
对于复杂且危险的生产过程而言，非侵入式分析控制具有特殊意义。在线监测提供了一个独特的机会，能够快速确定关键浓度，且对操作人员和环境不存在严重风险。用于定量测定硝酸中复杂混合物中稀土元素浓度的模型即为此目的而设。在此，研究了利用整个紫外-可见光谱范围以及化学计量学数据处理同时测定铈、镨和钕的可行性。比较了偏最小二乘回归和相关约束多元曲线分辨交替最小二乘这两种化学计量学技术的可预测性。在失控情况下分析了模型的性能。
