Arash Alizadeh, Vasileios Touloupidis, João B. P. Soares
{"title":"A Thermodynamic Simulation Package for Catalytic Polyolefin Reactors: Development and Applications","authors":"Arash Alizadeh, Vasileios Touloupidis, João B. P. Soares","doi":"10.1002/mren.202200057","DOIUrl":null,"url":null,"abstract":"<p>A thermodynamic simulation package is developed for the catalytic polymerization of olefins in autoclave slurry, loop slurry, gas-phase, and autoclave solution reactors. The number of components in the reactors may vary from two to six. The simulator uses the Sanchez–Lacombe theory, one of the major thermodynamic models in the polymer industry. Step-by-step instructions on how to specify the system, derive and solve the resulting nonlinear equations, and estimate the required thermodynamic properties are given. The software is used to describe ethylene/1-hexene copolymerizations with hydrogen in different reactors under industrial conditions. These simulations demonstrate why thermodynamic effects must be included in olefin polymerization models.</p>","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"17 4","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2022-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Macromolecular Reaction Engineering","FirstCategoryId":"5","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/mren.202200057","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
A thermodynamic simulation package is developed for the catalytic polymerization of olefins in autoclave slurry, loop slurry, gas-phase, and autoclave solution reactors. The number of components in the reactors may vary from two to six. The simulator uses the Sanchez–Lacombe theory, one of the major thermodynamic models in the polymer industry. Step-by-step instructions on how to specify the system, derive and solve the resulting nonlinear equations, and estimate the required thermodynamic properties are given. The software is used to describe ethylene/1-hexene copolymerizations with hydrogen in different reactors under industrial conditions. These simulations demonstrate why thermodynamic effects must be included in olefin polymerization models.
期刊介绍：
Macromolecular Reaction Engineering is the established high-quality journal dedicated exclusively to academic and industrial research in the field of polymer reaction engineering.
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