一种无校正集灰色体系光谱定量分析方法

在前人关于"分子光谱谱线近似满足高斯线型"的理论基础之上,根据混合物光谱与待测组分纯光谱,通过对光谱取对数、一阶导数,运用迭代逼近算法,提出了一种无校正集的灰色体系光谱定量分析方法。把残余光谱的对数——一阶导数曲线中直线范围之和最大作为混合物光谱中已知纯光谱成分完全剔除的标准,以此判断混合光谱中纯光谱的含量,该含量即为混合物中待测化合物的含量。对于该过程中的求导运算,以抑制导数运算对噪音的放大,提出并应用了一种新的近似导数方法,即用信号与正交多项式的卷积替代常规导数运算,效果良好。该定量分析方法具有无校正集、过程参数固定、无人为因素影响等优点。

Calibration-Free Quantitative Method with Spectroscopy

Based on the theory that the molecular spectral line shape is Gaussian function,a calibration-free quantitative method is advanced.In this method,only the mixed spectra and the pure spectra of the determined compound were employed.Subtract times of the pure spectra from the mixed one gradually,then,the 1st derivative of the logarithm of the remnant curve is computed.When the summation of length scope of the straight line becomes the maximum,the multiple of the pure spectra subtracted can be considered as th...