目的 建立一种适用于原生聚丙烯（PP）与工业后PP回用料的快速鉴别方法并考察其在PP盖制品中的适用性。方法 采用超声辅助溶剂萃取-紫外可见光谱法（UV-Vis）采集PP样品萃取液光谱,对比优化萃取溶剂、超声时间和样品量对PP样品紫外光谱响应的影响并结合主成分分析（PCA）和正交偏最小二乘判别分析（OPLS-DA）进行鉴别。结果 确定较优前处理条件为：在室温条件下,以二氯甲烷为萃取溶剂,样品量为1.0 g,溶剂体积为5.0 mL,超声萃取120 min。原生PP与PP回用料提取液在230~280 nm和300~350 nm波段存在稳定差异。不同光谱数据预处理后建立的OPLS-DA模型均具有较好鉴别准确率。经VIP值筛选后,基于标准正态变量变换后239~345 nm光谱波段的OPLS-DA模型,R2X、R2Y和Q2分别为0.999、0.983和0.945,模型准确率为100%且未出现过拟合现象。含低回用料比例（<20%）的PP盖制品的UV-Vis光谱差异不明显。结论 UV-Vis法结合化学计量学可以实现原生PP与工业后PP回用料的快速区分,但不适用对PP制品中低比例回用料（<20%）的识别。鉴别模型仍需覆盖更多代表性PP回用料样品,以提高其泛用能力。
Abstract
The work aims to develop a method for the rapid discrimination of virgin polypropylene (PP) and post-industrial PP regrind, and evaluate its applicability to PP cap products. An ultrasound-assisted solvent extraction method combined with ultraviolet-visible spectroscopy (UV-Vis) was adopted to acquire UV-Vis spectra of PP sample extracts, and the effects of extraction solvent, ultrasonic extraction time, and sample mass on the spectral responses were investigated and optimized. Principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were further applied for sample discrimination. The optimized pretreatment conditions were determined as follows: dichloromethane as the extraction solvent, a sample mass of 1.0 g, a solvent volume of 5.0 mL, and ultrasonic extraction at room temperature for 120 min. Stable spectral differences between virgin PP and PP regrind extracts were observed in the wavelength ranges of 230-280 nm and 300-350 nm. OPLS-DA models established with different spectral preprocessing methods all exhibited good discrimination performance. After wavelength selection based on variable importance in projection (VIP) values, an OPLS-DA model was established with standard normal variate -transformed spectra in the wavelength range of 239-345 nm. The model achieved R2X, R2Y, and Q2 values of 0.999, 0.983, and 0.945, respectively, with a classification accuracy of 100%, and no evidence of overfitting was observed. However, the UV-Vis spectral differences of PP cap products containing low proportions (<20%) of PP regrind were not evident. Overall, UV-Vis spectroscopy combined with chemometric analysis can provide a rapid screening and discrimination method for virgin PP and post-industrial PP regrind, but it is not suitable for identifying low proportions of PP regrind (<20%) in PP products. Representative recycled PP samples will be further collected to enhance the model's generalizability.
关键词
聚丙烯 /
工业回收料 /
紫外可见光谱 /
化学计量学
Key words
polypropylene /
post-industrial recycled plastic /
ultraviolet-visible spectrum /
chemometrics
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