Molecular dynamics simulation of thermal de-icing on a flat surface

Sun, Qiangqiang; Zhao, Yong; Choi, Kwing-So; Mao, Xuerui

Abstract

The accumulation of ice has adverse effects on human activities but the dynamic mechanism of icing and de-icing has not been well clarified. Herein, molecular dynamics (MD) simulations and the analysis methods of the hydrogen bond and the tetrahedral order parameter are used for the first time to investigate the underpinning physics and visualize the thermal de-icing process on a flat wall from the molecular level. The effects of ice thickness (H), wall temperature (Tw) and wettability on the thermal de-icing process are examined. The results indicate that the ice starts to melt from its mantle and then proceeds inwards. The energy consumption of thermal de-icing can be modelled as a bilinear function of Tw and H. The melting time is almost bilinear with respect to H and 1/(Tw-273.15K), and converges to a constant value at Tw⩾313.15K. When adopting a hydrophobic surface, which is generally considered as icephobic and prevents the ice accretion, more time and almost constant energy are required to melt the ice. By revealing thermal de-icing processes on a hot surface at the molecule level, this work offers guidance for the development of de-icing techniques and devices applied extensively in engineering applications.

Citation

Sun, Q., Zhao, Y., Choi, K.-S., & Mao, X. (2021). Molecular dynamics simulation of thermal de-icing on a flat surface. Applied Thermal Engineering, 189, Article 116701. https://doi.org/10.1016/j.applthermaleng.2021.116701

• Journal Article Type: Article
• Acceptance Date: Feb 4, 2021
• Online Publication Date: Feb 27, 2021
• Publication Date: May 5, 2021
• Deposit Date: Jul 21, 2021
• Publicly Available Date: Feb 28, 2022
• Journal: Applied Thermal Engineering
• Print ISSN: 1359-4311
• Electronic ISSN: 1873-5606
• Publisher: Elsevier
• Peer Reviewed: Peer Reviewed
• Volume: 189
• Article Number: 116701
• DOI: https://doi.org/10.1016/j.applthermaleng.2021.116701
• Keywords: Industrial and Manufacturing Engineering; Energy Engineering and Power Technology
• Public URL: https://nottingham-repository.worktribe.com/output/5811442
• Publisher URL: https://www.sciencedirect.com/science/article/abs/pii/S1359431121001563
• Additional Information: This article is maintained by: Elsevier; Article Title: Molecular dynamics simulation of thermal de-icing on a flat surface; Journal Title: Applied Thermal Engineering; CrossRef DOI link to publisher maintained version: https://doi.org/10.1016/j.applthermaleng.2021.116701; Content Type: article; Copyright: © 2021 Elsevier Ltd. All rights reserved.