傅立叶变换近红外光谱法检测白酒总酸和总酯

    Determination of total acid and total ester in liquor based on Fourier transform near-infrared spectroscopy

    • 摘要: 该文研究白酒总酸和总酯的快速检测技术,通过解析不同白酒样品的近红外光谱图,对光谱数据进行不同的处理,结果表明:用一阶导数预处理光谱,谱区选择6102~5446 cm-1,利用人工神经网络与傅立叶变换近红外光谱相结合,采用内部交叉验证法建立模型,效果较好。其中,总酸模型的决定系数为96.73%,内部交叉验证均方根差为0.048 g/L;总酯模型的决定系数为99.58%,内部交叉验证均方根差为0.085 g/L;进一步对总酸和总酯的模型进行验证和评价,结果表明总酸模型验证集的相关系数为99.2%,预测标准偏差为0.074 g/L;总酯模型验证集的相关为99.7%,预测标准偏差为0.134 g/L,表明建立的模型可靠,预测效果好,能满足白酒生产中总酸和总酯的快速检测要求。

       

      Abstract: In order to measure total acid(TA) and total ester(TE) accurately and quickly in liquor, calibration models were established based on Fourier-transform near-infrared spectroscopy with artifical neural network by Cross-Validation after the spectra were analyzed and discussed. Results show that according to the selected spectral ranges of 6102~5446 cm-1, coefficients of the models(R2) for TA and TE are 96.73% and 99.58% respectively, and the root mean square errors of cross validation(RMSECV) for TA and TE are 0.048 g/L and 0.085 g/L respectively. Then the models were tested. Results show that R2 for TA and TE are 99.2% and 99.7% respectively, and the root mean square errors of prediction(RMSEP) are 0.074 g/L, 0.134 g/L respectively. These suggest the models of TA and TE are reliable with good predictability and can meet the requirement of quick determination of TA and TE in liquor production.

       

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