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近红外光谱法快速测定高含量精制甘油中的甘油含量
引用本文:李治华.近红外光谱法快速测定高含量精制甘油中的甘油含量[J].广州化工,2012,40(21):115-116,124.
作者姓名:李治华
作者单位:河北亚东化工集团有限公司,河北石家庄,050035
摘    要:采用偏最小二乘法(PLS)建立了快速测定高含量精制甘油中甘油含量的近红外光谱校正模型,该模型主因子数为4,相关系数(R2)为99.12%,校正标准偏差(RMSECV)为0.027;以预测集对模型进行验证,结果表明,R2为99.17%,预测标准偏差(RMSEP)为0.023,对同一样品预测值的相对标准偏差(RSD)为0.04%。

关 键 词:近红外光谱  偏最小二乘法  精制甘油  甘油含量

Rapid Determination of Glycerin Content in High Concentration Refined Glycerin by NIR Spectroscopy
LI Zhi-hua.Rapid Determination of Glycerin Content in High Concentration Refined Glycerin by NIR Spectroscopy[J].GuangZhou Chemical Industry and Technology,2012,40(21):115-116,124.
Authors:LI Zhi-hua
Affiliation:LI Zhi-hua(Hebei Yadong Chemical Group Co.,Ltd.,Hebei Shijiazhuang 050035,China)
Abstract:A calibration model of near-infrared spectrum(NIRS) was established based on partial least square(PLS) method in order to determine rapidly the glycerin content in high concentration refined glycerin.The optimum number of factors was 4,the correlation coefficient(R2) of the model and the root mean square error of cross validation(RMSECV) were 99.12% and 0.027,respectively.Then the model was tested and evaluated,the result showed the R2 of the test set was 99.17%,the root mean square error of prediction(RMSEP) was 0.023,and the relative standard deviation(RSD) was 0.04%.
Keywords:NIR Spectroscopy  partial least square method  refined glycerin  glycerine content
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