Huang, Z;
Long, J;
Luo, K;
(2024)
Molecular Dynamics Investigation of Wettability Transition of Copper and Design of a Durable Superwetting Structure.
In:
Proceedings of ASME 2024 7th International Conference on Micro/Nanoscale Heat and Mass Transfer, MNHMT 2024.
American Society of Mechanical Engineers
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Abstract
Superwettability of clean metal surfaces cannot endure for extended periods in natural atmospheric conditions. Among the various factors that may contribute to the wettability transition of metals, we believe that the adsorption of organics plays a significant role. In this study, we investigate the impact and extent of adsorbed organics on the wettability of copper through Molecular Dynamics simulations of carboxyl acids adsorbing on its surface. We examine the change in surface energy with increasing coverage ratio of organics. The result reveals that a clean metal surface exhibits high surface energy, corresponding to a superwettability nature. However, as the coverage ratio of organics increases, the wettability decreases and changes to hydrophobic at a coverage ratio of about 0.5-0.6. The simulations indicate that this wettability transition is primarily caused by the water-repelling effect originating from the carbon backbone of the organic molecules. Shorter molecules exhibit lower water-repelling strength and form weaker adsorption structures, leading to a less pronounced wettability transition. To achieve durable superwetting, we propose a porous structure composed of sufficiently small voids that allow water molecules to enter while preventing the penetration of organic molecules. Experimental results demonstrate that this structure enables superwetting to persist for several months in urban atmospheric conditions. These superwetting surfaces hold significant potential for various applications across different domains.
| Type: | Proceedings paper |
|---|---|
| Title: | Molecular Dynamics Investigation of Wettability Transition of Copper and Design of a Durable Superwetting Structure |
| Event: | ASME 2024 7th International Conference on Micro/Nanoscale Heat and Mass Transfer |
| Dates: | 5 Aug 2024 - 7 Aug 2024 |
| DOI: | 10.1115/MNHMT2024-131175 |
| Publisher version: | http://dx.doi.org/10.1115/mnhmt2024-131175 |
| Language: | English |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10199818 |
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