In this work, an extended classical nucleation theory (CNT), including line tension, is used to disentangle classical and non-classical effects in the nucleation of vapor from a liquid confined between two hydrophobic plates at a nanometer distance. The proposed approach allowed us to gauge, from the available simulation work, the importance of elusive nanoscale effects, such as line tension and non-classical modifications of the nucleation mechanism. Surprisingly, the purely macroscopic theory is found to be in quantitative accord with the microscopic data, even for plate distances as small as 2 nm, whereas in extreme confinement (<1.5 nm), the CNT approximations proved to be unsatisfactory. These results suggest how classical nucleation theory still offers a computationally inexpensive and predictive tool useful in all domains where nanoconfined evaporation occurs-including nanotechnology, surface science, and biology.

Classical nucleation of vapor between hydrophobic plates / Tinti, Antonio; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 158:13(2023). [10.1063/5.0140736]

Classical nucleation of vapor between hydrophobic plates

Antonio Tinti
;
Alberto Giacomello;Simone Meloni;Carlo Massimo Casciola
2023

Abstract

In this work, an extended classical nucleation theory (CNT), including line tension, is used to disentangle classical and non-classical effects in the nucleation of vapor from a liquid confined between two hydrophobic plates at a nanometer distance. The proposed approach allowed us to gauge, from the available simulation work, the importance of elusive nanoscale effects, such as line tension and non-classical modifications of the nucleation mechanism. Surprisingly, the purely macroscopic theory is found to be in quantitative accord with the microscopic data, even for plate distances as small as 2 nm, whereas in extreme confinement (<1.5 nm), the CNT approximations proved to be unsatisfactory. These results suggest how classical nucleation theory still offers a computationally inexpensive and predictive tool useful in all domains where nanoconfined evaporation occurs-including nanotechnology, surface science, and biology.
2023
nucleation; vapo; hydrophobicity
01 Pubblicazione su rivista::01a Articolo in rivista
Classical nucleation of vapor between hydrophobic plates / Tinti, Antonio; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 158:13(2023). [10.1063/5.0140736]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1677585
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