title: Identification of trace additives in polymer materials by attenuated total reflection Fourier transform infrared mapping coupled with multivariate curve resolution.
abstract: Although multivariate curve resolution (MCR) has been applied to the analysis of Fourier transform infrared (FTIR) imaging, it is still problematic to determine the number of components. The reported methods at present tend to cause the components of low concentration missed. In this paper a new idea was proposed to resolve this problem. First, MCR calculation was repeated by increasing the number of components sequentially, then each retrieved pure spectrum of as-resulted MCR component was directly compared with a real-world pixel spectrum of the local high concentration in the corresponding MCR map. One component was affirmed only if the characteristic bands of the MCR component had been included in its pixel spectrum. This idea was applied to attenuated total reflection (ATR)/FTIR mapping for identifying the trace additives in blind polymer materials and satisfactory results were acquired. The successful demonstration of this novel approach opens up new possibilities for analyzing additives in polymer materials.
authors.affiliation: State Key Laboratory of Chemical Resource Engineering, Analysis and Test Center, Beijing University of Chemical Technology, Beijing 100029, China.
authors.forename: Qian
authors.initials: Q
authors.lastname: Li
authors.affiliation: State Key Laboratory of Chemical Resource Engineering, Analysis and Test Center, Beijing University of Chemical Technology, Beijing 100029, China.
authors.forename: Yongjiao
authors.initials: Y
authors.lastname: Tang
authors.affiliation: State Key Laboratory of Chemical Resource Engineering, Analysis and Test Center, Beijing University of Chemical Technology, Beijing 100029, China.
authors.forename: Zhiwei
authors.initials: Z
authors.lastname: Yan
authors.affiliation: State Key Laboratory of Chemical Resource Engineering, Analysis and Test Center, Beijing University of Chemical Technology, Beijing 100029, China. Electronic address: zhangpd@mail.buct.edu.cn.
authors.forename: Pudun
authors.initials: P
authors.lastname: Zhang
keywords: Attenuated total reflection; Fourier transform infrared mapping; Multivariate curve resolution; Polymer; Trace additive