近红外光谱法测定藿香正气水中乙醇含量

Determination of Ethanol in Huoxiang Zhengqi Liquids by NIR

目的:利用近红外光谱建立快速测定藿香正气水中乙醇含量的方法。方法:用GC法测定藿香正气水中乙醇含量,采用偏最小二乘法(PLS)建立NIR光谱与GC测定值之间的多元校正模型,预测藿香正气水中乙醇含量。结果:所建立的校正模型内部交叉验证的决定系数R^2为99.88,内部交叉验证方差(RMSECV)为0.347;验证预测值与理论值的相关系数为0.998 5,预测值平均回收率为99.92%(RSD=1.02%,n=9)。结论:本方法简便精确、快速环保,可用于藿香正气水中乙醇含量的快速检测。

Objective：To develop a method for fast determination of ethanol in Huoxiang Zhengqi liquids by NIR.Method：The content of ethanol in Huoxiang Zhengqi liquids was determined by GC.Multivariate calibration model of the results between NIR and GC was established by partial least squares（PLS）.Result：The determination coefficients R^2 of the cross validation in the model was 99.88 and RMSECV（root mean square error） was 0.347.The correlation coefficients of the true value and prediction was 0.998 5. The average recovery of the prediction set was 99.92%（RSD = 1.02%,n =9）.Conclusion：The proposed method is simple,accurate and fast.It provides a novel and environmental friendly approach for the fast determination of ethanol in Huoxiang Zhengqi liquids.