Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Investigations on Nanoscale Wetting, Fluid Transport, and Droplet Evaporation at Nanostructured Surfaces by Molecular Dynamics Simulations(01. Izmir Institute of Technology, 2021) Şatıroğlu, Ezgi; Barışık, Murat; Özkol, Ünver; Barışık, Murat; Özkol, Ünver; 01. Izmir Institute of Technology; 03.10. Department of Mechanical Engineering; 03. Faculty of EngineeringThere is a significant need to understand solid-liquid interactions at nanoscale to determine the fluid behavior in several revolutionary applications. Specifically, nanoscale surface wetting, nanoscale liquid transport, and nanoscale heat transfer are the most sought-after subjects in recent scientific and industrial applications. This thesis focuses on characterization and possible control of wetting, fluid flow, and heat transfer using nanoscale surface structures. First, wetting behavior on a nanostructured surface was studied to resolve contact angle hysteresis. The droplet was found stabilized at a metastable state with a contact angle significantly different from its equilibrium value due to contact line pinning from the surface asperities. The contact angle was found to increase linearly by increasing droplet size when the droplet is pinned. However, these pinning effects become negligible, and the contact angle reaches the equilibrium value of the corresponding surface when the surface structure size becomes negligible compared to droplet size. Second, fluid flow in nanostructured nanochannels was studied to determine the transport behavior. While the slip boundary condition on a smooth surface correlated with the wetting angle, transport in a nanostructured channel remained mostly independent from wetting condition of the corresponding surface structure. Lastly, droplet evaporation over nanopatterned surfaces was investigated. When the droplet temperature reached the Leidenfrost point, a sudden increase in the interface thermal resistance was observed, which significantly decreased the heat transfer to the droplet. Increasing the size of the surface structure pushed the Leidenfrost point to higher surface temperatures. Current results contribute to various disciplines in engineering and applied sciences.Master Thesis Molecular Dynamics Studies on Manipulation of Surface Wetting Using Nanoscale Surface Structures(Izmir Institute of Technology, 2019) Özçelik, Hüseyin Gökberk; Barışık, Murat; Barışık, Murat; 03.10. Department of Mechanical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyThe discovery of the lotus effect relating to the hydrophobic nature of lotus leaves is significant to surface structures on wetting. By considering the lotus effect, efforts have been made to mimics the effect of surface stuctures to manipulate wetting and surface patterning is introduced to capture underlying mechanism of lotus effect. Later, the effect of nanosized structures on rose petals is also addressed. Interestingly, while both lotus leaf and rose petal show hydrophobic behavior, due to nanosized structures, rose petals exhibit sticky behavior in contrast to the slippery lotus leaves. Herein, to investigate the effect of nanosized surface structures on wetting, molecular dynamics studies on wetting of nanopatterned silica surfaces are performed. Before performing wetting studies on the surfaces, ab initio based calcuations and molecular dynamics studies are conducted to assure modelled surfaces capture wetting behavior of silica surfaces and it is found that ab inito based calculations overestimate the interactions between water and silica surfaces. Consequently, parametric molecular dynamics studies are performed and force field parameters capturing wetting behavior of silica surfaces are proposed. Then, two different silica surfaces are subjected to investigation and applicability of models predicting contact angle is examined. Previous models proposed in the literature fail in predicting contact angle on nanopatterned silica surfaces. Therefore, initially, averaged water density inside the cavity is considered to characterize wetting behavior but significant variation from trendline is observed. Then, non dimensional surface parameter is proposed to capture wetting on nanopatterned silica surfaces and change in the work of adhesion is correlated with non dimensional surface parameter.
