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Edith Cowan University

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Molecular dynamics

2022

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Full-Text Articles in Engineering

Morphology Of Mos2 Nanosheets And Its Influence On Water/Oil Interfacial Tension: A Molecular Dynamics Study, Yang Feng, Jirui Hou, Yulong Yang, Shuting Wang, Dongsen Wang, Tingting Cheng, Zhenjiang You Mar 2022

Morphology Of Mos2 Nanosheets And Its Influence On Water/Oil Interfacial Tension: A Molecular Dynamics Study, Yang Feng, Jirui Hou, Yulong Yang, Shuting Wang, Dongsen Wang, Tingting Cheng, Zhenjiang You

Research outputs 2022 to 2026

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 …