用新的解谱软件及X射线荧光光谱法分析硫的化学态

A Software for Resolving Overlapped Spectrum and Chemical State Analysis of Sulfur by X-ray Fluorescence Spectrometry

根据离散傅立叶变换与褶积定理，开发了快速傅立叶变换自消褶积解谱软件，有９种窗函数可供选择。结合图形软件，并通过模拟谱和实验谱的叠加、二分法的运用等，实现了自动搜寻谱峰和参数的新算法，并将其应用于Ｘ射线荧光光谱分析硫的化学态的研究中，给出了模拟谱自消褶积解谱结果，不同化学态硫的混合物实测谱与解谱结果比较图。

A software for resolving overlapped spectrum by using fast Fourier transform self-deconvolution was developed. In the software, nine apodization functions can be chosen according to the practical application. A new algorithm based on automatically peak searching and parameter selection has been proposed. The simulant and experimental spectra were artificially overlapped. The truncation range was continuously adjusted in a dualizing method. At the same time, a graph tool was used. The probability of resolving overlapped spectrum increased significantly by this algorithm. The method has been successfully applied to analyzing chemical state of sulphur with a single crystal X-ray fluorescence spectrometer. The overlapped spectra of K_2SO_4Na_2SO_3, K_2SO_4CdS and ZnSCaSO_4 mixtures were resolved by the software.