Molecular simulations on the stability and dynamics of bulk nanobubbles in aqueous environments
Literature Information
Yi Lu, Lei Yang, Yangmin Kuang, Yongchen Song, Jiafei Zhao, Amadeu K. Sum
Nanobubbles have attracted significant attention due to their unexpectedly long lifetimes and stabilities in liquid solutions. However, explanations for the unique properties of nanobubbles at the molecular scale are somewhat controversial. Of special interest is the validity of the Young–Laplace equation in predicting the inner pressure of such bubbles. In this work, large-scale molecular dynamics simulations were performed to study the stability and diffusion of nanobubbles of methane in water. Two types of force field, atomistic and coarse-grained, were used to compare the calculated results. In accordance with predictions from the Young–Laplace equation, it was found that the inner pressure of the nanobubbles increased with decreasing nanobubble size. Consequently, a large pressure difference between the nanobubble and its surroundings resulted in the high solubility of methane molecules in water. The solubility was considered to enable nanobubble stability at exceptionally high pressures. Smaller bubbles were observed to be more mobile via Brownian motion. The calculated diffusion coefficient also showed a strong dependence on the nanobubble size. However, this active mobility of small nanobubbles also triggered a mutable nanobubble shape over time. Nanobubbles were also found to coalesce when they were sufficiently close. A critical distance between two nanobubbles was thus identified to avoid coalescence. These results provide insight into the behavior of nanobubbles in solution and the mechanism of their unique stability while withstanding high inner pressures.
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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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