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A rapid determination method for chemical oxygen demand in aquaculture wastewater using the ultraviolet absorbance spectrum and chemometrics

机译:紫外吸收光谱和化学计量学快速测定水产养殖废水中化学需氧量的方法

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The ultraviolet (UV) absorbance spectrum was studied for the fast determination of chemical oxygen demand (COD) in aquaculture wastewater. Four calibration methods were investigated and compared in building the model, including multiple linear regression, partial least squares, least squares support vector machine and back-propagation artificial neural network (BP-ANN). In order to eliminate the superfluous information within the UV spectrum, a variable selection method of successive projections algorithm (SPA) was taken into consideration to select efficient wavelengths (EWs), which was applied for the first time in the UV spectroscopic technique for the COD determination in aquaculture wastewater. Six different spectral pretreatment methods were compared. The best prediction result was obtained by the BP-ANN model based on the 11 EWs with the optimum spectral pretreatment method of standard normal variate, and the coefficient of determination of prediction was 0.90, the root mean squared error of prediction was 10.96 mg La?’1 and the residual predictive deviation was 5.06. The overall results obtained revealed that SPA is a favourable method to select UV spectral EWs, the usage of EWs in model calibration could obtain better prediction results in comparision with the full range UV spectrum, and the combination of UV absorbance spectral EWs with chemometric analysis could be applied for the rapid determination of COD in aquaculture wastewater successfully.
机译:研究了紫外(UV)吸收光谱,用于快速测定水产养殖废水中的化学需氧量(COD)。研究了四种校准方法,并在建立模型时进行了比较,包括多元线性回归,偏最小二乘,最小二乘支持向量机和反向传播人工神经网络(BP-ANN)。为了消除UV光谱中的多余信息,考虑了连续投影算法(SPA)的可变选择方法来选择有效波长(EWs),这是在COD的UV光谱技术中首次应用的测定水产养殖废水。比较了六种不同的光谱预处理方法。通过BP-ANN模型,基于11种EW,采用标准正态变量的最佳光谱预处理方法,可获得最佳的预测结果,预测的确定系数为0.90,预测的均方根误差为10.96 mg La?。 '1,剩余预测偏差为5.06。总体结果表明,SPA是选择紫外光谱电子束的理想方法,与全范围紫外光谱相比,在模型校准中使用电子束可以获得更好的预测结果,并且紫外吸收光谱电子束与化学计量学的结合可以成功应用于水产养殖废水中化学需氧量的快速测定。

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