文献类型：期刊文献

中文题名：以化学计量学方法研究聚氨葡糖膜自动采集微量甲醛气的红外光谱与吸附量的定量关系

英文题名：The study of relationship between infrared spectra and concentration of micro formaldehyde passively sampled by chitosan film with chemometric methods

作者：罗曦芸[1,2];张磊[1];刘娜[1];杜一平[1]

机构：[1]华东理工大学化学与分子工程学院,上海200237;[2]上海博物馆,上海200002

年份：2009

卷号：26

期号：3

起止页码：283

中文期刊名：计算机与应用化学

外文期刊名：Computers and Applied Chemistry

收录：CSTPCD;;北大核心:【北大核心2008】；CSCD:【CSCD2011_2012】；

基金：上海市浦江人才计划项目(2006年);上海市科委纳米专项0652nm020.

语种：中文

中文关键词：聚氨基葡糖;红外光谱;甲醛气体;多元散射校准;偏最小二乘法

外文关键词：chitosan; FTIR; formaldehyde; multiplicative scatter correction; partial least squares;

摘要：用聚氨葡糖膜被动采集微量甲醛气体和高灵敏红外光谱分析仪,检测其中气体的光谱。再用多元散射校正(MSC)法,校正因膜厚薄不均导致光程异常,以了解光谱与甲醛吸附量(从10μg～105.2μg)与不同波数的关系。再用偏最小二乘(PLS)-去一交互检验法,在相关性好的光谱区间建模。结果表明:根据不同波数的关系,了解与甲醛含量变化密切相关的光谱区间,与聚氨葡糖膜的红外吸收谱带相对应。含有氨基吸收谱峰特征区间1315 cm^(-1)～1632 cm^(-1)建模优势明显,当隐变量为6时,最小预测误差为6.44μg,相关系数为0.9847。利用聚氨葡糖膜吸附甲醛气体的特性,建立的甲醛自动采样技术,有效采集微量甲醛样品,测定聚氨葡糖膜的红外光谱,了解甲醛浓度的变化,为快速测量室内微量甲醛气体奠定了基础。
A well-prepared chitosan film was utilized in the passive sampling of formaldehyde.The change of the film after collecting formaldehyde was recorded by Fourier Transform Infrared(FTIR) spectroscopy.To reduce non-linearity caused by differences in path length between films,the IR spectra were pretreated by multiplicative scatter correction(MSC) method.The whole spectra were investigated to find special regions correlated with the amount of absorbed HCHO(from 10μg to 105.2μg) in the film.Leaving-one-out cross...