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1 引言 近年来,随着计算机的普及和发展,用化学计量学方法来解析光谱数据,实现毋需分离的多组分同时测定的报道迅速增加,但一般仅限于用来解析基本光谱数据。本文提出用线性规划算法解析一阶导数光谱数据的新方法,对以PAR为显色剂的Co、Ni、Cu、Zn、Fe五组分混合体系的同时测定进行了研究,结果表明,该法既保持了导数分光光度法的高灵敏度,又利用了线性规划算法解决了普通导数光谱难以解析的5组分同时测定问题,对标准合成样品进行了测定,结果令人满意。
1 Introduction In recent years, with the popularization and development of computers, there has been a rapid increase in the coverage of spectroscopic data using chemometrics to achieve simultaneous determination of multiple components without separation. However, the general application is limited to the analysis of basic spectral data. In this paper, a new method to analyze the first-order derivative spectral data by linear programming is proposed. The simultaneous determination of Co, Ni, Cu, Zn and Fe five component mixtures with PAR as chromogenic reagent is studied. The results show that this method While maintaining the high sensitivity of derivative spectrophotometry, the linear programming algorithm was used to solve the simultaneous determination of 5 components, which is difficult to be solved by ordinary derivative spectra. The results of standard synthetic samples were satisfactory.