摘要
利用衰减全反射傅立叶变换红外光谱(FTIR/ATR)以及多元线性回归模型,分别采用经典最小二乘回归算法和逆最小二乘回归算法,建立了一种多组分同时在线的定量分析方法.这种方法精度高,结果准确,平均相对误差不到3%.两种回归算法中,以逆最小二乘算法获得的结果具有更高的精度和准确性,更适合含有少量杂质的体系.
A quantitative multi-component analysis by FTIR/ATR with multiple regression is performed. Through this method, many components can be quantitative analyzed on-line at the same time. In Multiple Regression model, Classic Least Squares or Inverse Least Squares were adopted. The calculated value from this method has higher precision and accuracy compared with traditional methods with its average relative error less than 3%. The calculations from two regressions, value of ILS have higher precision and accuracy and it is more adaptable to the system which has little impurity.
出处
《湘潭大学自然科学学报》
CAS
CSCD
北大核心
2008年第3期109-112,共4页
Natural Science Journal of Xiangtan University
基金
国家自然科学基金重点资助项目(20736009)
关键词
傅立叶变换红外光谱
衰减全反射
经典最小二乘法
逆最小二乘法
多组分定量分析
Fourier transform infrared spectroscopy
attenuated total reflection
classic least squares
inverse least squares
quantitative multi-component analysis
