摘要：Plate-shaped nanoparticles exhibit huge potential for a broad range of cutting-edge applications in interfacial-based science and technology, such as enhanced oil recovery in hydrocarbon reservoirs, owing to their remarkable features in superior affinity toward interfaces. Understanding the adsorption behavior of nanosheets (NSs) self-assembled at the water/oil interface (W/O interface) is crucial to elucidate the variation of interfacial tension (IFT) and establish special design criteria for efficient industrial use of NSs. Here we present a molecular dynamics study to reveal the morphology of carbon-chain modified molybdenum disulfide (MoS2) nanosheets. The stress exerted on a nanosheet is analyzed. The simulation results demonstrate a significant decrease in interfacial tension after adding NSs to the water/oil system, followed by a noticeable fluctuation with increased NS concentration. Surprisingly, the carbon-chain modified MoS2 nanosheets do not show a greater ability in altering IFT compared to unmodified ones. The IFT fluctuation is found strongly linked to the competition between the effects of interface coverage rate of adsorbed nanosheets and the intersection angle arising from nonuniform forces acting on a nanosheet.

关键字：2H-MoS2 nanosheets; Interfacial morphology; Interfacial tension; Adsorption behavior; Molecular dynamics

ISSN号：0016-2361

卷、期、页：卷: 312

发表日期：2022-03-15

影响因子：6.608900

期刊分区（SCI为中科院分区）：二区

收录情况：SCIE（科学引文索引网络版）

发表期刊名称：FUEL

参与作者：Wang, Shuting,Wang, Dongsen,Cheng, Tingting,You, Zhenjiang

通讯作者：冯阳

第一作者：侯吉瑞,杨钰龙

论文类型：期刊论文

论文概要：冯阳,侯吉瑞,杨钰龙,Wang, Shuting,Wang, Dongsen,Cheng, Tingting,You, Zhenjiang，Morphology of MoS2 nanosheets and its influence on water/oil interfaceial tension: A molecular dynamics study，FUEL，2022，卷: 312

论文题目：Morphology of MoS2 nanosheets and its influence on water/oil interfaceial tension: A molecular dynamics study