A heuristic approach for nanodrops on a smooth solid surface

Literature Information

Publication Date 2019-05-28
DOI 10.1039/C9CP01791G
Impact Factor 3.676
Authors

Gersh O. Berim, Eli Ruckenstein


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Abstract

A heuristic approach is developed to obtain a simple equation for the contact angle of a nanodrop on a smooth planar solid surface. First, nanodrops of various fluids in contact with various solid surfaces are considered on the basis of nonlocal density functional theory (DFT). Along with the traditional (apparent) contact angle, θa, which the drop profile makes with the solid surface, another one, θd, formed by the smooth part of the drop profile and the horizontal plane separating that part from the oscillatory part of the profile was examined. For each of the contact angles, a separate simple equation resembling the Young equation for the macroscopic drops but containing, instead of surface tensions, the microscopic parameters of intermolecular interactions, temperature, and average density of the fluid was hypothesized and the parameters of this equation were determined using the results of DFT calculations. It was shown that predictions of these equations coincide with the results provided by DFT.

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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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