基于三维荧光导数光谱的水体有机污染物浓度检测

Detection of Dissolved Organic Matter Based on Three-Dimensional First-Order Derivative Fluorescence Spectrometry

提出了应用三维荧光一阶导数光谱检测水体中有机污染物浓度的分析方法。在计算三维荧光导数光谱时,采用Savitzky-Golay多项式拟合微分法对激发、发射光谱分别求导。由于在计算导数光谱时所采用的多项式拟合本身具有平滑功能,因此不需要单独进行平滑处理以去除噪声。针对所构成的四维荧光导数光谱(激发波长,发射波长,激发波长的一阶导数,发射波长的一阶导数),采用偏最小二乘方法建立回归模型。实验结果表明,在对水体中总有机碳的检测中,与常规的三维荧光光谱分析方法相比,文章提出的分析方法可较好地提高分析精度。

Based on three-dimensional first-order derivative fluorescence spectrometry,an analysis method for detecting dissolved organ matter in water is proposed in the present paper.By using simplified least squares differentiation methods presented by Savitzky and Goly,the first-order partial derivatives for emission wavelength and excitation wavelength were calculated. As the fitting polynomial has the smoothing function in the calculation of derivative spectra,a separate smoothing method is not required to remove spectrometry noise.The regression model was calculated by partial least square for 4-dimension fluorescence data including emission wavelength,excitation wavelength and their first-order derivatives.The Experimental results for detecting total organic carbon（TOC） in water show that the proposed method has obvious advantage over the conventional fluorescence spectrometry analysis methods in the aspect of the root mean square error of prediction and correlation coefficient.