从拉曼光谱和近红外光谱中去除溶剂效应,实时监测溶解聚丙烯在多溶剂体系中的含量

IF 6 2区 化学 Q1 CHEMISTRY, ANALYTICAL
Sofiane Ferchichi , Nida Sheibat-Othman , Maud Rey-Bayle , Vincent Monteil
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引用次数: 0

摘要

本文提出了一种实时监测几种溶剂中聚丙烯溶解回收过程中溶解聚丙烯浓度的方法。选择最合适的溶剂是根据聚丙烯的热力学溶解性能和溶剂。现场监测采用现场拉曼光谱和近红外光谱。首先,利用偏最小二乘(PLS)回归建立了几种单溶剂模型来预测溶剂中溶解的聚合物浓度。然后,基于相同的数据,开发了一个通用的多溶剂模型,以跨几种预定义溶剂,溶剂混合物或新的可比溶剂进行操作。为此,采用外部参数正交化(EPO)方法来消除溶剂对光谱的影响。该方法可以现场监测溶解在几种溶剂中的聚丙烯的浓度,这些溶剂在模型开发过程中没有使用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Removal of solvent effect from Raman and NIR spectra for real-time monitoring of dissolved polypropylene content across multi-solvent systems during dissolution-based recycling

Removal of solvent effect from Raman and NIR spectra for real-time monitoring of dissolved polypropylene content across multi-solvent systems during dissolution-based recycling

Removal of solvent effect from Raman and NIR spectra for real-time monitoring of dissolved polypropylene content across multi-solvent systems during dissolution-based recycling
A methodology is developed for real-time monitoring the dissolved polypropylene concentration during the polypropylene dissolution recycling process across several solvents. The selection of the most appropriate solvents is based on the thermodynamic dissolution properties of polypropylene and the solvents. In-situ Raman and near infrared (NIR) spectroscopy are employed for in-situ monitoring. First, partial least square (PLS) regression is used to develop several single-solvent models to predict the dissolved polymer concentration in the solvent. Then, based on the same data, a generalized multi-solvent model is developed to operate across several predefined solvents, mixture of solvents or new comparable solvents. To do so, an external parameter orthogonalization (EPO) approach is employed to eliminate the influence of the solvent on the spectra. The method allows to monitor in-situ the concentration of polypropylene dissolved in several types of solvents, not used during the model development.
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来源期刊
Analytica Chimica Acta
Analytica Chimica Acta 化学-分析化学
CiteScore
10.40
自引率
6.50%
发文量
1081
审稿时长
38 days
期刊介绍: Analytica Chimica Acta has an open access mirror journal Analytica Chimica Acta: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Analytica Chimica Acta provides a forum for the rapid publication of original research, and critical, comprehensive reviews dealing with all aspects of fundamental and applied modern analytical chemistry. The journal welcomes the submission of research papers which report studies concerning the development of new and significant analytical methodologies. In determining the suitability of submitted articles for publication, particular scrutiny will be placed on the degree of novelty and impact of the research and the extent to which it adds to the existing body of knowledge in analytical chemistry.
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