GCRIS

The 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.

Master Degree / Yüksek Lisans Tezleri

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