用振动光谱和多变量分析对提高再生乙烯-丙烯冲击共聚物塑料回收率的重要成核剂进行定量分析

Q2 Multidisciplinary
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引用次数: 0

摘要

中红外(MIR)光谱作为一种量化共聚物中成核添加剂存在的工具的潜力已经被评估。本研究的重点是利用MIR振动光谱分析乙烯-丙烯共聚物中的Millad NX8000添加剂。光谱范围为400 cm -1 ~ 4000 cm -1。对光谱数据进行了单变量和多变量分析,以评估MIR光谱作为共聚物中添加剂振动量化的分析技术。结果表明,该方法可用于建立鉴定和定量选定化学目标的分析方法,对浓度高达~ 4000 ppm具有高度线性响应。在Millad NX800吸光度光谱中评估了四个振动带,以确定线性回归的优点数字。测定的添加剂最低检出浓度(LOD)为241 ppm,定量限(LOQ)为804 ppm。利用PLS对光谱信息进行多变量分析(MVA)。计算交叉验证的均方根误差(RMSECV)、预测的均方根误差(RMSEP)、交叉验证的确定系数(r2 -CV)和预测的确定系数(r2 -Pred),并以此作为获得的光谱相关性质量的指标。结果表明,MIR光谱可以作为一种有用的工具,用于定量分析具有成核添加剂(如Millad NX8000)的共聚物。关键词:聚丙烯,共聚物,多元数据分析,偏最小二乘回归,傅里叶变换红外光谱,检出限,千元DOI: https://doi.org/10.35741/issn.0258-2724.58.5.40
本文章由计算机程序翻译,如有差异,请以英文原文为准。
QUANTIFICATION OF A VITAL NUCLEATING AGENT FOR IMPROVING THE RECOVERY RATE OF RECYCLED ETHYLENE-PROPYLENE IMPACT COPOLYMER PLASTICS USING VIBRATIONAL SPECTROSCOPY AND MULTIVARIATE ANALYSIS
The potential of mid-infrared (MIR) spectroscopy as a tool for quantifying the presence of nucleating additives in copolymers has been evaluated. This study focused on the analysis of the Millad NX8000 additive in an ethylene-propylene copolymer using MIR vibrational spectroscopy. The spectral range evaluated was 400 cm -1 - 4000 cm -1 . Univariate and multivariate analyses of the spectral data were performed to evaluate MIR spectroscopy as an analytical technique for the vibrational quantification of additives in copolymers. The results showed that it could be used to build analytical methodologies for the identification and quantification of selected chemical targets, with a highly linear response for concentrations up to ~ 4000 ppm. Four vibrational bands were evaluated in the Millad NX800 absorbance spectrum to determine the figures of merit from the linear regressions. The lowest concentration of additive that could be detected (LOD) was determined to be 241 ppm, and the value for the quantification limit (LOQ) was 804 ppm. Multivariate analysis (MVA) using PLS was applied to the spectral information. The root mean square error of cross-validation (RMSECV), root mean square error of prediction (RMSEP), coefficient of determination from cross-validation (R 2 -CV), and coefficient of determination from prediction (R 2 -Pred) were calculated and used as indicators of the quality of the obtained spectral correlations. The results suggest that MIR spectroscopy could be a useful tool for the quantitative analysis of copolymers with nucleating additives such as Millad NX8000. Keywords: Polypropylene, Copolymer, Multivariate Data Analysis, Partial Least Square Regression, Fourier Transform Infrared Spectroscopy, Limit of Detection, Millad DOI: https://doi.org/10.35741/issn.0258-2724.58.5.40
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CiteScore
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