Direct measurement of curvature-dependent surface tension of an alcohol nanomeniscus

Kim, Dohyun; Kim, Jong-Woo; Hwang, Jonggeun; Shin, Dongha; An, Sangmin; Jhe, Wonho

doi:10.1039/d0nr08787d

Cited by 4 publications

(2 citation statements)

References 44 publications

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“…Accurate calculation of these require consideration of several factors described in [27][28][29][30][31]. Here we test the consistency of Young-Laplace equation when using MD calculated surface tension and pressure drop, while the ROC is determined using the density cutoff and energy-based methods.…”

Section: Potential Energy Kinetic Energy Densitymentioning

confidence: 99%

An Energy-Based Interface Detection Method for Phase Change Processes in Nanoconfinements

Ozsipahi,

Akkus,

Nguyen

et al. 2021

Preprint

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An energy-based liquid-vapor interface detection method is presented using molecular dynamics (MD) simulations of liquid menisci confined between two parallel plates under equilibrium and evaporation/condensation conditions. This method defines the liquidvapor interface at the location where the kinetic energy of the molecules first exceeds the total potential energy imposed by all neighboring (liquid, vapor, and solid) atoms.This definition naturally adapts to the location of the menisci relative to the walls and can properly model the behavior of the liquid adsorbed layers. Unlike the density cutoff methods frequently used in the literature that suffer from density layering effects, this new method gives smooth and continuous liquid-vapor interfaces in nanoconfinements.Surface tension values calculated from the equilibrium MD simulations match the Young-Laplace equation better when using the radius of curvatures calculated from this method.

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Section: Potential Energy Kinetic Energy Densitymentioning

confidence: 99%

An Energy-Based Interface Detection Method for Phase Change Processes in Nanoconfinements

Ozsipahi,

Akkus,

Nguyen

et al. 2021

Preprint

View full text Add to dashboard Cite

show abstract

“…In addition, surface tension in nanoscale can be affected by curvature, capillary wave, and confinement effects. , The objective of this study is the determination of the advantages of the new energy-based interface detection method, not the exact values of the surface tension or pressure. Accurate calculation of these requires consideration of several factors described in refs − . Here we test the consistency of the Young–Laplace equation when using MD-calculated surface tension and pressure drop, while the ROC is determined using the density cutoff and energy-based methods.…”

mentioning

confidence: 99%

Energy-Based Interface Detection for Phase Change Processes of Monatomic Fluids in Nanoconfinements

Ozsipahi

Akkuş

Nguyen

et al. 2021

J. Phys. Chem. Lett.

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An energy-based liquid−vapor interface detection method is presented using molecular dynamics simulations of liquid menisci confined between two parallel plates under equilibrium and evaporation/condensation conditions. This method defines the liquid− vapor interface at the location where the average kinetic energy of atoms first exceeds the average potential energy imposed by all neighboring molecules. This definition naturally adapts to the location of the menisci relative to the walls and can properly model the behavior of the liquid adsorbed layers. Unlike the density cutoff methods frequently used in the literature that suffer from density layering effects, this new method gives smooth and continuous liquid−vapor interfaces in nanoconfinements. Surface tension values calculated from the equilibrium MD simulations match the Young−Laplace equation better when using the radius of curvatures calculated from this method. Overall, this energy-based liquid−vapor interface detection method can be used in studies of nanoscale phase change processes and other relevant applications.

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Contribution of Capillary Adhesion to Friction at Macroscopic Solid–Solid Interfaces

et al. 2022

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Direct measurement of curvature-dependent surface tension of an alcohol nanomeniscus

Abstract: Surface tension is a key parameter for understanding nucleation in the very initial stage of phase transformation. Although surface tension has been predicted to vary with the curvature of the...

Cited by 4 publications

References 44 publications

An Energy-Based Interface Detection Method for Phase Change Processes in Nanoconfinements

An Energy-Based Interface Detection Method for Phase Change Processes in Nanoconfinements

Energy-Based Interface Detection for Phase Change Processes of Monatomic Fluids in Nanoconfinements

Contribution of Capillary Adhesion to Friction at Macroscopic Solid–Solid Interfaces

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