数学模型的建立及其应用于聚丙烯树脂的近红外漫反射光谱分析  

Modelling and Its Application to the Analysis of Polypropyrene Resin by Near Infrared Diffuse-Reflection Spectrometry

作　　者：林振兴[1] 王松青[1] 刘文涵[2] 邬蓓蕾[1] 王群威[1] 

机构地区：[1]宁波出入境检验检疫局,宁波315012 [2]浙江工业大学,杭州310014

出　　处：《理化检验（化学分册）》2007年第2期98-101,共4页Physical Testing and Chemical Analysis(Part B:Chemical Analysis)

摘　　要：采用偏最小二乘(PLS)回归法,分别建立了近红外漫反射光谱法测定聚丙烯的正己烷提取物及熔体流动速率的数学模型,并选择了最佳光谱预处理方法、谱区范围及主因子数。正己烷提取物及熔体流动速率数学模型的决定系数(R2)分别为98.03%及96.65%、交叉验证均方差分别为0.0495及0.94。结果表明,预测值与标准法测定值较为接近,方法适用于大批量聚丙烯品质分析。Mathematical models for the n-hexane extracts and flow-rate of the molten fluid in Fourier tansform near-infrared diffuse-reflection spectrometric analysis of polypropyrene resin were constructed separately by using the partial least square （PLS） algorithm, and the optimum condition of the method of spectrum pretreatment, spectral range and main factor number were selected. The resolution coefficients （R^2） for the mathematical models were found to be 98. 03% and 96. 65%. The mean square deviation of cross validation were 0. 049 5 and 0. 94 respectively. The results determined by the present method were in coincidence with those by standard methods. The method proposed in this paper showed its special features of high accuracy, rapidity and better repeatability. It is feasible especially for the quality analysis of samples in batches.

关 键 词：傅立叶变换 近红外光谱 聚丙烯 正己烷提取物 熔体流动速率 

分 类 号：O657.33[理学—分析化学]