Guido Grause, Joseph Sutton, Andrew P Dove, Niall A Mitchell, Joseph Wood
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Therefore, this work aims to directly crystallize BHET from ethylene glycol. For this reason, the crystallization of BHET was investigated experimentally. Crystallization was simulated using gPROMS Formulated Products with the aim of estimating kinetic parameters and using these to optimize an industrial process. Kinetic parameters were determined by model validation, including primary and secondary nucleation and crystal growth. The best-fitting set of kinetic parameters was used to optimize BHET crystallization in batch and continuous modes by minimizing equipment costs. Impeller parameters were found to have a great influence on crystallization performance. Ultimately, the continuous and batch processes gave comparable results in terms of equipment cost, with the batch process giving larger crystals and higher yields but the continuous process requiring a smaller crystallizer.</p>","PeriodicalId":34,"journal":{"name":"Crystal Growth & Design","volume":"24 17","pages":"7306-7321"},"PeriodicalIF":3.4000,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11378152/pdf/","citationCount":"0","resultStr":"{\"title\":\"Crystallization of Bis(2-hydroxyethylene) Terephthalate as a Part of a Bottle-to-Bottle Recycling Concept for Poly(ethylene terephthalate).\",\"authors\":\"Guido Grause, Joseph Sutton, Andrew P Dove, Niall A Mitchell, Joseph Wood\",\"doi\":\"10.1021/acs.cgd.4c00984\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The chemical recycling of poly(ethylene terephthalate) (PET) is very attractive as PET bottle waste provides an abundant clean material with low levels of additives. One of the most promising processes is glycolysis, which depolymerizes PET in the presence of ethylene glycol. For this process, it is necessary to think through the whole concept, from the waste material to the newly polymerized virgin polymer. Most research ends with determining the yield of bis(2-hydroxyethyl)terephthalate (BHET) after glycolysis. Some research includes antisolvent crystallization with water to separate BHET from ethylene glycol. However, the subsequent separation of water and ethylene glycol is an energy-intensive process. Therefore, this work aims to directly crystallize BHET from ethylene glycol. For this reason, the crystallization of BHET was investigated experimentally. Crystallization was simulated using gPROMS Formulated Products with the aim of estimating kinetic parameters and using these to optimize an industrial process. Kinetic parameters were determined by model validation, including primary and secondary nucleation and crystal growth. The best-fitting set of kinetic parameters was used to optimize BHET crystallization in batch and continuous modes by minimizing equipment costs. Impeller parameters were found to have a great influence on crystallization performance. Ultimately, the continuous and batch processes gave comparable results in terms of equipment cost, with the batch process giving larger crystals and higher yields but the continuous process requiring a smaller crystallizer.</p>\",\"PeriodicalId\":34,\"journal\":{\"name\":\"Crystal Growth & Design\",\"volume\":\"24 17\",\"pages\":\"7306-7321\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2024-08-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11378152/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystal Growth & Design\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.cgd.4c00984\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/9/4 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystal Growth & Design","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1021/acs.cgd.4c00984","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/9/4 0:00:00","PubModel":"eCollection","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Crystallization of Bis(2-hydroxyethylene) Terephthalate as a Part of a Bottle-to-Bottle Recycling Concept for Poly(ethylene terephthalate).
The chemical recycling of poly(ethylene terephthalate) (PET) is very attractive as PET bottle waste provides an abundant clean material with low levels of additives. One of the most promising processes is glycolysis, which depolymerizes PET in the presence of ethylene glycol. For this process, it is necessary to think through the whole concept, from the waste material to the newly polymerized virgin polymer. Most research ends with determining the yield of bis(2-hydroxyethyl)terephthalate (BHET) after glycolysis. Some research includes antisolvent crystallization with water to separate BHET from ethylene glycol. However, the subsequent separation of water and ethylene glycol is an energy-intensive process. Therefore, this work aims to directly crystallize BHET from ethylene glycol. For this reason, the crystallization of BHET was investigated experimentally. Crystallization was simulated using gPROMS Formulated Products with the aim of estimating kinetic parameters and using these to optimize an industrial process. Kinetic parameters were determined by model validation, including primary and secondary nucleation and crystal growth. The best-fitting set of kinetic parameters was used to optimize BHET crystallization in batch and continuous modes by minimizing equipment costs. Impeller parameters were found to have a great influence on crystallization performance. Ultimately, the continuous and batch processes gave comparable results in terms of equipment cost, with the batch process giving larger crystals and higher yields but the continuous process requiring a smaller crystallizer.
期刊介绍:
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.