The experimental and molecular dynamics investigation of shear resistance in ionic liquids at zwitterionic surfaces

Journal of Physics: Conference Series Pub Date : 2025-09-01 DOI:10.1088/1742-6596/3112/1/012012

Huilong Yan, Yaxiong Zhao, Yuyue Peng, Xiaoqing Gong, Jinliang Yan

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Abstract

Abstract The investigation of shear resistance of ionic liquids (ILs) on solid surfaces represents a significant scientific challenge in the advancement of slippery liquid infused porous surfaces (SLIPS). This study systematically examines the shear resistance and underlying mechanisms at the interface between the ILs and zwitterionic surface under shear load, employing a combination of molecular dynamics (MD) simulations and experimental methodologies. Shear resistance assessments were performed utilizing a spin coater at varying rotational velocities, and an MD model comprising over 6000 atoms was developed to explore the bonding force of ILs and solids. Experimental findings reveal that the shear resistance of the IL samples at the interface markedly exceeds that of conventional SLIPS. The MD results reveal that the electrostatic force, estimated at around -600 kcal·mol −1 , between the zwitterionic surface and the ILs plays a crucial role in enhancing the adhesion of the ILs to the substrate.

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离子液体两性离子表面剪切阻力的实验和分子动力学研究

研究离子液体（ILs）在固体表面上的剪切阻力是研究液体注入多孔表面（SLIPS）的重要科学挑战。本研究采用分子动力学（MD）模拟和实验相结合的方法，系统地研究了剪切载荷下ILs和两性离子表面界面的剪切阻力及其潜在机制。利用旋转涂布机在不同转速下进行剪切阻力评估，并开发了包含6000多个原子的MD模型来探索il和固体的结合力。实验结果表明，IL样品在界面处的抗剪性能明显优于传统的slip。结果表明，离子表面和离子表面之间的静电力（估计在-600 kcal·mol−1左右）在增强离子表面与衬底的粘附力方面起着至关重要的作用。

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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