{"title":"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","authors":"Sofiane Ferchichi , Nida Sheibat-Othman , Maud Rey-Bayle , Vincent Monteil","doi":"10.1016/j.aca.2025.344752","DOIUrl":null,"url":null,"abstract":"<div><div>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. <em>In-situ</em> Raman and near infrared (NIR) spectroscopy are employed for <em>in-situ</em> 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 <em>in-situ</em> the concentration of polypropylene dissolved in several types of solvents, not used during the model development.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1380 ","pages":"Article 344752"},"PeriodicalIF":6.0000,"publicationDate":"2025-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"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\",\"authors\":\"Sofiane Ferchichi , Nida Sheibat-Othman , Maud Rey-Bayle , Vincent Monteil\",\"doi\":\"10.1016/j.aca.2025.344752\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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. <em>In-situ</em> Raman and near infrared (NIR) spectroscopy are employed for <em>in-situ</em> 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 <em>in-situ</em> the concentration of polypropylene dissolved in several types of solvents, not used during the model development.</div></div>\",\"PeriodicalId\":240,\"journal\":{\"name\":\"Analytica Chimica Acta\",\"volume\":\"1380 \",\"pages\":\"Article 344752\"},\"PeriodicalIF\":6.0000,\"publicationDate\":\"2025-10-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Analytica Chimica Acta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0003267025011468\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0003267025011468","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
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.
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.