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化学学报
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化学学报 ›› 1998, Vol. 56 ›› Issue (5): 500-506. 上一篇    下一篇

研究论文

序贯数论优化法在化学定量分析中的应用

龚范;张林;梁逸曾;俞汝勤   

  1. 湖南大学化学化工学院;湖南大学化学计量学和化学传感技术研究所
  • 发布日期:1998-05-15

Sequential number theoretic optimization method applied to chemical quantitative analysis

GONG FAN;ZHANG LIN;LIANG YIZENG;YU RUQIN   

  • Published:1998-05-15

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695

被引次数

3 | 2

将序贯数论优化(SNTO)法用于二维多组分数据的约束背景双线性化(CBBL)和基于最小中位数平方(LMS)法的稳健多元校正的优化过程,以进行多组分同时测定。对于所选数学函数和在CBBL中与变步长广义模拟退火(VSGSA)法进行了比较, SNTO法都取得了令人满意的结果。同时, 对于多元校正, 将基于SNTO的LMS法用于模拟和实际体系, 结果表明LMS法是一种稳健的算法。SNTO法的原理清晰, 且易于实现,是一种较实用的全局优化方法。

关键词: 定量分析, 序贯数论优化法, 线性校正

Sequential number theoretic optimization (SNTO) method is presented for constrained background bilinearization (CBBL) of two-way multicomponent data and robust multivariate calibration based on least median of squares (LMS) method. compared with variable step generalized simulated annealing (VSGSA) method in both computer simulation on two selected mathematic functions and optimization part for CBBL, SNTO method gives satisfactory results. The LMS method based on SNTO method is apparently superior to the least squares (LS) technique in both real chemical systems and simulated systems. SNTO method is one of practical global optimization methods because of distinctness of its principle and easy realization.

Key words: QUANTITATIVE ANALYSIS

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