Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars
By using molecular dynamics simulation, we investigate the wettability of a surface texturized with a periodic array of hierarchical pillars. By varying the height and spacing of the minor pillars on top of major pillars, we investigate the wetting transition from the Cassie–Baxter (CB) to Wenzel (W...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/11/4513 |
| _version_ | 1797597042094112768 |
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| author | Kiduk Kim Seyong Choi Zhengqing Zhang Joonkyung Jang |
| author_facet | Kiduk Kim Seyong Choi Zhengqing Zhang Joonkyung Jang |
| author_sort | Kiduk Kim |
| collection | DOAJ |
| description | By using molecular dynamics simulation, we investigate the wettability of a surface texturized with a periodic array of hierarchical pillars. By varying the height and spacing of the minor pillars on top of major pillars, we investigate the wetting transition from the Cassie–Baxter (CB) to Wenzel (WZ) states. We uncover the molecular structures and free energies of the transition and meta-stable states existing between the CB and WZ states. The relatively tall and dense minor pillars greatly enhance the hydrophobicity of a pillared surface, in that, the CB-to-WZ transition requires an increased activation energy and the contact angle of a water droplet on such a surface is significantly larger. |
| first_indexed | 2024-03-11T03:01:13Z |
| format | Article |
| id | doaj.art-f7622a0171c9461a939fab92b72f5fe8 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T03:01:13Z |
| publishDate | 2023-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-f7622a0171c9461a939fab92b72f5fe82023-11-18T08:17:39ZengMDPI AGMolecules1420-30492023-06-012811451310.3390/molecules28114513Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical PillarsKiduk Kim0Seyong Choi1Zhengqing Zhang2Joonkyung Jang3Department of Nanoenergy Engineering, Pusan National University, Busan 46241, Republic of KoreaDepartment of Nanoenergy Engineering, Pusan National University, Busan 46241, Republic of KoreaState Key Laboratory of Separation Membranes and Membrane Processes, School of Chemical Engineering and Technology, Tiangong University, Tianjin 300387, ChinaDepartment of Nanoenergy Engineering, Pusan National University, Busan 46241, Republic of KoreaBy using molecular dynamics simulation, we investigate the wettability of a surface texturized with a periodic array of hierarchical pillars. By varying the height and spacing of the minor pillars on top of major pillars, we investigate the wetting transition from the Cassie–Baxter (CB) to Wenzel (WZ) states. We uncover the molecular structures and free energies of the transition and meta-stable states existing between the CB and WZ states. The relatively tall and dense minor pillars greatly enhance the hydrophobicity of a pillared surface, in that, the CB-to-WZ transition requires an increased activation energy and the contact angle of a water droplet on such a surface is significantly larger.https://www.mdpi.com/1420-3049/28/11/4513molecular dynamics simulationCassie-BaxterWenzelhydrophobic surfacehierarchical pillars |
| spellingShingle | Kiduk Kim Seyong Choi Zhengqing Zhang Joonkyung Jang Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars Molecules molecular dynamics simulation Cassie-Baxter Wenzel hydrophobic surface hierarchical pillars |
| title | Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars |
| title_full | Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars |
| title_fullStr | Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars |
| title_full_unstemmed | Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars |
| title_short | Molecular Simulation Study on the Wettability of a Surface Texturized with Hierarchical Pillars |
| title_sort | molecular simulation study on the wettability of a surface texturized with hierarchical pillars |
| topic | molecular dynamics simulation Cassie-Baxter Wenzel hydrophobic surface hierarchical pillars |
| url | https://www.mdpi.com/1420-3049/28/11/4513 |
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