Prediction of the Properties of Polyethylene Terephthalate and its Carbon Nanotube Composites

IF 0.6 4区工程技术 Q4 ENERGY & FUELS

Chemistry and Technology of Fuels and Oils Pub Date : 2024-03-15 DOI:10.1007/s10553-024-01655-4

A. K. Gabitov, T. R. Prosochkina, K. G. Kichatov

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.

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聚对苯二甲酸乙二醇酯及其碳纳米管复合材料的性能预测

针对聚对苯二甲酸乙二醇酯以及由这种聚合物衍生出的以不同单壁碳纳米管为填料的复合材料进行了分子动力学建模。研究了这种聚合物复合材料的超分子结构对其某些物理化学和机械性能的影响。研究发现，聚合物基体-填料体系的相间分子间相互作用是决定其物理化学和机械性能的主要因素。因此，在预测此类材料的性能时必须考虑到这种相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemistry and Technology of Fuels and Oils 工程技术-工程：化工

CiteScore

0.90

自引率

16.70%

发文量

119

审稿时长

1.0 months

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.