Effect of nanostructures and wettability on the instability of thin water films on a solid surface

A molecular dynamics study

Liyong Sun, Jun Zhou, Phil Jones

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular dynamics simulations are performed to investigate the stability of thin water films on square gold nanostructures of varying depth and wavelength. The critical film thickness of breakup is shown to increase linearly with nanostructure depth, and is not affected by nanostructure wavelength. In addition, the wettability of the gold surface is controlled from superhydrophilic to hydrophobic by altering the energy parameter of the solid-liquid potential, and the equilibrium contact angle for each energy parameter is calculated using a droplet spreading simulation. Four different energy parameters of the solid-liquid potential are investigated. The ratio of the energy parameter to the energy parameter of water and gold is 1, 0.5, 0.25 and 0.1. The case for ratio of 1 represents water on superhydrophilic gold surfaces. The relationship between the critical film thickness of breakup and the equilibrium contact angle is demonstrated. The results of the present work will provide guidelines for nanostructure design for controlling thin film stability.

Original languageEnglish (US)
Title of host publicationASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting
PublisherAmerican Society of Mechanical Engineers
ISBN (Electronic)9780791850343
DOIs
StatePublished - Jan 1 2016
EventASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting - Washington, United States
Duration: Jul 10 2016Jul 14 2016

Other

OtherASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting
CountryUnited States
CityWashington
Period7/10/167/14/16

Fingerprint

Gold
Wetting
Molecular dynamics
Nanostructures
Water
Contact angle
Film thickness
Wavelength
Liquids
Thin films
Computer simulation

All Science Journal Classification (ASJC) codes

  • Fluid Flow and Transfer Processes
  • Process Chemistry and Technology
  • Mechanical Engineering

Cite this

Sun, L., Zhou, J., & Jones, P. (2016). Effect of nanostructures and wettability on the instability of thin water films on a solid surface: A molecular dynamics study. In ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting [7921] American Society of Mechanical Engineers. https://doi.org/10.1115/ICNMM2016-7921
Sun, Liyong ; Zhou, Jun ; Jones, Phil. / Effect of nanostructures and wettability on the instability of thin water films on a solid surface : A molecular dynamics study. ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2016.
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Sun, L, Zhou, J & Jones, P 2016, Effect of nanostructures and wettability on the instability of thin water films on a solid surface: A molecular dynamics study. in ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting., 7921, American Society of Mechanical Engineers, ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting, Washington, United States, 7/10/16. https://doi.org/10.1115/ICNMM2016-7921

Effect of nanostructures and wettability on the instability of thin water films on a solid surface : A molecular dynamics study. / Sun, Liyong; Zhou, Jun; Jones, Phil.

ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers, 2016. 7921.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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N2 - Molecular dynamics simulations are performed to investigate the stability of thin water films on square gold nanostructures of varying depth and wavelength. The critical film thickness of breakup is shown to increase linearly with nanostructure depth, and is not affected by nanostructure wavelength. In addition, the wettability of the gold surface is controlled from superhydrophilic to hydrophobic by altering the energy parameter of the solid-liquid potential, and the equilibrium contact angle for each energy parameter is calculated using a droplet spreading simulation. Four different energy parameters of the solid-liquid potential are investigated. The ratio of the energy parameter to the energy parameter of water and gold is 1, 0.5, 0.25 and 0.1. The case for ratio of 1 represents water on superhydrophilic gold surfaces. The relationship between the critical film thickness of breakup and the equilibrium contact angle is demonstrated. The results of the present work will provide guidelines for nanostructure design for controlling thin film stability.

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Sun L, Zhou J, Jones P. Effect of nanostructures and wettability on the instability of thin water films on a solid surface: A molecular dynamics study. In ASME 2016 14th International Conference on Nanochannels, Microchannels, and Minichannels, ICNMM 2016, collocated with the ASME 2016 Heat Transfer Summer Conference and the ASME 2016 Fluids Engineering Division Summer Meeting. American Society of Mechanical Engineers. 2016. 7921 https://doi.org/10.1115/ICNMM2016-7921