摘要
光谱的多元定量分析是化学计量学的主要研究对象,应用偏最小二乘法(Partial Least-Squares,PLS)对傅里叶变换红外光谱严重重叠的醇类八组分混合体系进行同时定量分析,并与其它化学计量学方法所得结果进行比较。PLS 法采用校准技术,充分利用浓度和吸收度的信息,具有很强的抗干扰能力,是一种优良的多元定量分析化学计量学法。
Multivariate spectral analysis is an important research object of chemometrics.PLS method was used for simulta-neous quantitative analysis of eight components system containing alcohol homologs and isomers.FTIR spectra of the eightcomponents system overlap seriously.The results of PLS method were compared with other chemometric methods.PLSmethod can fully make use of information of concentration and absorbance in the calibration samples and has a strong abilityof resisting interference.PLS method is a multivariate statistical method with good feature.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2004年第2期241-244,共4页
Computers and Applied Chemistry
