Mesoscopic Simulation of Centrifugal Melt Electrospinning of PPESK

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE Macromolecular Theory and Simulations Pub Date : 2023-08-18 DOI:10.1002/mats.202300036
Han Guo, Jia Chen, Xujin Lv, Xin Qu, Baoyan Zhang, Gongqiu Peng, Yong Liu
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Abstract

Poly(aryl ether sulfone ketone) (PPESK) is an engineering plastic with high strength, good heat resistance, insulation, and chemical corrosion resistance. The properties of PPESK fiber prepared by centrifugal melt electrospinning can be improved, and the method is efficient and environmentally friendly. This article employs a systematic analysis to investigate the impact of process parameters on the jet formation process, jet motion, fiber diameter, fiber yield, and changes in molecular chain orientation of PPESK. The analysis uses dissipative particle dynamics simulation to reveal that PPESK fibers can attain a certain degree of refinement, and fiber yield can be increased with an appropriate increase in rotational speed, temperature, and electric field force. Moreover, for PPESK with different chain lengths, longer molecular chains impede the untwisting of the molecular chains within the fiber, weakening the fiber orientation, increasing fiber diameter, and resulting in a slower fiber yield increase. These simulation results provide theoretical guidance for preparing PPESK ultrafine fibers with the required performance, shortening the exploration process of actual spinning, and saving time and labor.

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PPESK离心熔融静电纺丝的细观模拟
聚芳醚砜酮(PPESK)是一种强度高、耐热、绝缘性好、耐化学腐蚀的工程塑料。离心熔体静电纺丝法制备的PPESK纤维性能得到改善,且该方法高效环保。本文系统分析了工艺参数对射流形成过程、射流运动、纤维直径、成纤维率以及PPESK分子链取向变化的影响。通过耗散粒子动力学模拟分析,发现PPESK纤维可以达到一定的细化程度,并且随着转速、温度和电场力的适当增加,纤维产量可以提高。此外,对于不同链长的PPESK,较长的分子链阻碍了纤维内分子链的解扭,使纤维取向变弱,纤维直径增大,纤维收率增长较慢。这些仿真结果为制备具有所需性能的PPESK超细纤维,缩短实际纺丝的探索过程,节省时间和劳动力提供了理论指导。这篇文章受版权保护。版权所有
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来源期刊
Macromolecular Theory and Simulations
Macromolecular Theory and Simulations 工程技术-高分子科学
CiteScore
3.00
自引率
14.30%
发文量
45
审稿时长
2 months
期刊介绍: Macromolecular Theory and Simulations is the only high-quality polymer science journal dedicated exclusively to theory and simulations, covering all aspects from macromolecular theory to advanced computer simulation techniques.
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