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基于HS-GC-MS结合化学计量学对原生和再生聚丙烯的鉴别 被引量:1

Identification of Virgin and Recycled Polypropylene Based on HS-GC-MS Combined with Chemometrics
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摘要 为了建立一种快捷有效地鉴别原生料和再生料的方法或模型,利用顶空气相色谱-质谱联用(HS-GC-MS)、MSDIAL软件、NIST质谱库以及保留指数对原生聚丙烯(VPP)和再生聚丙烯(RPP)中的挥发性物质进行筛选。在72种原生和再生样本中,初步定性出257种挥发性化合物,涵盖烃类化合物、添加剂、污染物等杂质,发现原生样本中的烃类物质含量远高于再生样本,是VPP主要的挥发性成分。采用主成分分析(PCA)、最小正交偏二乘判别分析(OPLS-DA)和线性判别分析(LDA)等多种计量学方法,对相关物质进行建模,均成功实现对原生和再生PP的良好鉴别。 In order to establish a rapid and effective method or model for discriminating virgin materials from recycled materials,headspace gas chromatography-mass spectrometry(HS-GC-MS),MSDIAL software,the NIST mass spectral library,and retention indices were employed to screen volatile compounds in virgin polypropylene(VPP)and recycled polypropylene(RPP).Among the 72 samples of virgin and recycled materials,a total of 257 volatile compounds were preliminarily identified,including hydrocarbons,additives,contaminants,and other impurities.It was found that the content of hydrocarbons in virgin samples was significantly higher than that in recycled samples,making them the primary volatile components in VPP.Various chemometric methods,including principal component analysis(PCA),orthogonal partial least square discriminant analysis(OPLS-DA),and linear discriminant analysis(LDA),were used to model the relevant compounds,all of which successfully achieved good discrimination between virgin and recycled PP.
作者 董梓雯 林勤保 谢琰灵 DONG Ziwen;LIN Qinbao;XIE Yanling(Packaging Engineering Institute,Ji'nan University,Zhuhai 519070,China)
出处 《塑料科技》 北大核心 2025年第6期139-143,共5页 Plastics Science and Technology
基金 国家重点研发计划项目(2022YFF0607202)。
关键词 再生塑料 化学计量学 顶空气相色谱质谱联用 鉴别 差异性物质 Recycled plastics Chemometrics Headspace gas chromatography with mass spectrometry Differential Differential substances
作者简介 联系人:林勤保,7899966@qq.com。
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