{"title":"Prediction of the Properties of Polyethylene Terephthalate and its Carbon Nanotube Composites","authors":"A. K. Gabitov, T. R. Prosochkina, K. G. Kichatov","doi":"10.1007/s10553-024-01655-4","DOIUrl":null,"url":null,"abstract":"<p>Molecular dynamics modelling was carried out for polyethylene terephthalate and composite materials derived from this polymer with different single‑walled carbon nanotubes as a filler. The effect of the supramolecular structure of this polymer composite material on some of its physicochemical and mechanical properties was studied. The interphase intermolecular interaction of the polymer matrix‑filler system was found to be the major factor determining the physicochemical and mechanical properties. Therefore, consideration of this interaction is necessary for predicting the properties of such materials.</p>","PeriodicalId":9908,"journal":{"name":"Chemistry and Technology of Fuels and Oils","volume":"20 1","pages":""},"PeriodicalIF":0.6000,"publicationDate":"2024-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemistry and Technology of Fuels and Oils","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1007/s10553-024-01655-4","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
引用次数: 0
Abstract
Molecular dynamics modelling was carried out for polyethylene terephthalate and composite materials derived from this polymer with different single‑walled carbon nanotubes as a filler. The effect of the supramolecular structure of this polymer composite material on some of its physicochemical and mechanical properties was studied. The interphase intermolecular interaction of the polymer matrix‑filler system was found to be the major factor determining the physicochemical and mechanical properties. Therefore, consideration of this interaction is necessary for predicting the properties of such materials.
期刊介绍：
Chemistry and Technology of Fuels and Oils publishes reports on improvements in the processing of petroleum and natural gas and cracking and refining techniques for the production of high-quality fuels, oils, greases, specialty fluids, additives and synthetics. The journal includes timely articles on the demulsification, desalting, and desulfurizing of crude oil; new flow plans for refineries; platforming, isomerization, catalytic reforming, and alkylation processes for obtaining aromatic hydrocarbons and high-octane gasoline; methods of producing ethylene, acetylene, benzene, acids, alcohols, esters, and other compounds from petroleum, as well as hydrogen from natural gas and liquid products.
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