Optimal, not maximum: how molecular alignment governs ice adhesion on modified aluminum surfaces

IF 6.6 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Applied Surface Science Pub Date : 2026-09-21 DOI:10.1016/j.apsusc.2026.168478

M. Ruan, X.L. Guan, Q. Sun, Y.Y. Wang, J.L. Lei, B. Li, X.J. Lu, Z.G. Hu, Q. He

引用次数: 0

Abstract

Superhydrophobic coatings provide great promise for anti-icing applications, yet the ice adhesion reduction molecular mechanism remains poorly understood. Experimental studies with quantum mechanical (QM) and molecular dynamics (MD) simulations are integrated to reveal the underlying mechanisms of anti-icing behavior. It is found that anti-icing performance is maximized at an optimal coverage of 25% FAS-17 modifier with vertically aligned molecular configurations disrupting hydrogen bonding between ice and surface. The ice adhesion strength is reduced by 85% compared to bare surfaces. It suggests a general design principle that high anti-icing performance arises from controlled molecular order, not maximal density. These insights provide transferable strategies of eco-friendly alternatives and guide a rational development of durable, low-ice-adhesion surfaces such as high-voltage power lines.

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最佳的，而不是最大的：分子排列如何控制冰粘附在改性铝表面

超疏水涂层为防冰应用提供了巨大的希望，但减少冰粘附的分子机制仍然知之甚少。结合量子力学（QM）和分子动力学（MD）模拟的实验研究，揭示了抗冰行为的潜在机制。研究发现，当FAS-17改性剂的最佳覆盖率为25%时，抗冰性能达到最大，垂直排列的分子构型破坏了冰与表面之间的氢键。与裸露的表面相比，冰的粘附强度降低了85%。这表明了一个普遍的设计原则，即高的防冰性能来自于控制的分子顺序，而不是最大密度。这些见解为环保替代品提供了可转移的策略，并指导了耐用、低冰附着表面（如高压电力线）的合理发展。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.