A UV-Vis analytical method for polymetallic solutions

doi:10.11949/j.issn.0438-1157.20161709

Abstract

Abstract:

A polymetallic analytical method based on an improved Monte Carlo uninformative variable elimination (MC-UVE) was proposed to determine ion concentration by ultraviolet visible (UV-Vis) spectra of Cu²⁺, Co²⁺ and Zn²⁺ mixture solution. The improved MC-UVE, developed by incorporating exponential attenuation function (EDF), was applied to selecting wavelength of UV-Vis spectra. And the partial least squares calibration model was built on concentrations of polymetallic components at the selected wavelength. Experimental results showed that the improved MC-UVE could select higher contributing model variables and develop more precise PLS model than MC-UVE.

Key words: UV-Vis spectrometry, MC-UVE, wavelength selection, overlapping spectral separation, PLS, photochemistry, computational chemistry

摘要：

针对Cu²⁺，Co²⁺，Zn²⁺ 3种金属离子混合溶液的紫外可见分光光度法（UV-Vis）光谱重叠而难以检测的问题，提出了一种基于改进型Monte Carle无信息变量消除（MC-UVE）方法的多金属离子浓度检测方法。在MC-UVE的基础上引入指数衰减函数（EDF），提出了一种改进的MC-UVE方法，并基于该方法对料液的紫外-可见光谱进行波长筛选；然后，利用筛选出的波长建立PLS模型并进行各组分浓度检测计算；最后，分别对基于MC-UVE方法和改进型MC-UVE方法PLS模型的计算结果进行对比分析。结果表明：改进型MC-UVE方法可筛选出对模型贡献度高的变量，基于该变量选择方法的PLS模型精度高。

关键词: 紫外可见光谱, Monte Carle无信息变量消除, 变量筛选, 重叠光谱分离, 偏最小二乘法, 光化学, 计算化学

CLC Number:

O657.32

ZHU Hongqiu, CHEN Junming, YIN Donghang, LI Yonggang, YANG Chunhua. A UV-Vis analytical method for polymetallic solutions[J]. CIESC Journal, 2017, 68(3): 998-1004.

朱红求, 陈俊名, 尹冬航, 李勇刚, 阳春华. 一种基于紫外可见光谱的多金属离子浓度检测方法[J]. 化工学报, 2017, 68(3): 998-1004.

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