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Molecular dynamics simulations of wetting behaviors of droplets on surfaces with different rough structures

Chen, Yanling; Guo, Liang; Sun, Wanchen; Cai, Ningning; Yan, Yuying

Molecular dynamics simulations of wetting behaviors of droplets on surfaces with different rough structures Thumbnail


Authors

Yanling Chen

Liang Guo

Wanchen Sun

Ningning Cai

YUYING YAN YUYING.YAN@NOTTINGHAM.AC.UK
Professor of Thermofluids Engineering



Abstract

Aiming at the wall-wetting problem in internal combustion engines, to actively control the behaviors of fuel droplets after hitting the walls, the molecular dynamics method is used to investigate the effects of the surface wettability and rough structure on the static and dynamic wetting behaviors of the droplets. The results show that the droplet diameter has little influence on the intrinsic contact angle. With the decrease of the solid-liquid interaction coefficient, the interaction between the wall and the droplet is weakened, and the wetting state changes from the Wenzel state to the Cassie state, resulting in an increase in the static contact angle. As the ratio of the solid-liquid contact area to the composite contact area decreases, it is easier for the droplet to reach the Cassie state. Compared with the smooth surfaces, the structures of the rough surfaces have an inhibitory effect on the spreading of the droplets. The apparent contact angles of the droplets on the rough surfaces with different structures are larger than their intrinsic contact angles on the smooth surfaces. The secondary boss-shaped structures can significantly enhance the surface oleophobicity. In addition, with the decrease of the solid-liquid interaction coefficient, the contact angle hysteresis reduces. Compared with the Wenzel state, the droplet in the Cassie state has a smaller contact area with the surface, which makes the interaction between the wall and the droplet weaker, leading to a decrease in the contact angle hysteresis.

Citation

Chen, Y., Guo, L., Sun, W., Cai, N., & Yan, Y. (2023). Molecular dynamics simulations of wetting behaviors of droplets on surfaces with different rough structures. International Journal of Multiphase Flow, 169, Article 104613. https://doi.org/10.1016/j.ijmultiphaseflow.2023.104613

Journal Article Type Article
Acceptance Date Sep 12, 2023
Online Publication Date Sep 14, 2023
Publication Date 2023-12
Deposit Date Oct 30, 2023
Publicly Available Date Sep 15, 2024
Journal International Journal of Multiphase Flow
Print ISSN 0301-9322
Electronic ISSN 1879-3533
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 169
Article Number 104613
DOI https://doi.org/10.1016/j.ijmultiphaseflow.2023.104613
Keywords Droplet; Wettability; Rough structure; Contact angle; Molecular dynamics
Public URL https://nottingham-repository.worktribe.com/output/26795122
Publisher URL https://www.sciencedirect.com/science/article/pii/S0301932223002331

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