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.
出处
《理化检验（化学分册）》
CAS
CSCD
北大核心
2007年第2期98-101,共4页
Physical Testing and Chemical Analysis(Part B:Chemical Analysis)
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
Fourier transform
Near infrared spectrometry
Polypropyrene resin
n-Hexane extract
Flowrate of molten fluid
