Molecular dynamics study on the wettability of a hydrophobic surface textured with nanoscale pillars

Literature Information

Publication Date 2014-01-27
DOI 10.1039/C3CP54976C
Impact Factor 3.676
Authors

Zhengqing Zhang, Hyojeong Kim, Man Yeong Ha, Joonkyung Jang


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Abstract

Using molecular dynamics simulation, we studied the wetting properties of a surface textured with hydrophobic pillars, several nanometers in size. The drying transition of water confined between square or circular pillars was related to the Wenzel (WZ) to Cassie–Baxter (CB) transition of a water droplet deposited on periodic pillars. The inter-pillar spacing at which the drying occurs was compared to that predicted from the continuum theory. Such a comparison revealed that the line tension plays an important role in the drying behavior of the present nm-sized pillars. The water molecules near the pillar walls were layered and ordered in orientation. Our simulation showed a long-lived CB state which eventually turns into the WZ state. In this transition, water slowly penetrated down into the inter-pillar gap until it reached the half height of the pillar, and then quickly reached the base of the pillar.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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