固定式聚合物液滴的聚结:分子动力学研究

IF 1.8 4区 工程技术 Q3 POLYMER SCIENCE Macromolecular Theory and Simulations Pub Date : 2023-05-12 DOI:10.1002/mats.202300017
Soheil Arbabi, Panagiotis E. Theodorakis
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引用次数: 2

摘要

液滴聚结现象在自然界中普遍存在,同时也是喷墨印刷等各种技术的关键。在这里,我们报道了不同链长的聚合物液滴在不同润湿性基质上的聚结。通过粗粒模型的分子动力学模拟,发现在接触角较小的液滴(更可润湿的基质)情况下,桥生长速率较高,并且随着聚合物链长的增加而降低。在聚结过程中,两个液滴接近的动力学过程中也发现了不同的行为,与聚合物的链长相比,衬底的润湿性起着更重要的作用。虽然后一种参数对液滴的动力学特性影响很大,但不同情况下的密度分布和流态是相同的。因此,我们预计我们的工作将进一步深入了解液体聚合物液滴在固体基质上的聚结,并对相关技术产生影响。
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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Coalescence of Sessile Polymer Droplets: A Molecular Dynamics Study

Droplet coalescence is ubiquitous in nature and, at the same time key to various technologies, such as inkjet printing. Herein, this study reports on the coalescence of polymer droplets with different chain lengths coalescing on substrates of different wettability. By means of molecular dynamics simulations of a coarse-grained model, it is found that the rate of bridge growth is higher in the case of droplets with smaller contact angles (more wettable substrates) and decreases with the increase of the chain length of the polymers. Different behavior is also identified in the dynamics of the approach of the two droplets during coalescence with the substrate wettability playing a more important role compared to the chain length of the polymers. While the dynamics of the droplet are greatly affected by the latter parameters, the density profile and flow patterns remain the same for the different cases. Thus, this study anticipates that it provides further insights into the coalescence of liquid polymer droplets on solid substrates with implications for relevant technologies.

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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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