利用分子动力学模拟研究化学刻蚀超疏水材料

Simulation Study on Chemical Etching of Superhydrophobic Materials by Molecular Dynamics

介绍了一种制备超疏水表面的技术,该技术先通过硫酸刻蚀铝基底表面,然后使用硬脂酸进行低表面能处理,形成双层气垫结构,使铝基底表面具有超疏水性和抗腐蚀性能。实验结果表明,该方法可以制备出具有接触角高达151.2±1.5°和滚动角低至4.0±0.8°的超疏水表面。动力学模拟表明,硬脂酸分子的疏水端朝向水滴,亲水端朝向样品,形成一层分子膜,阻止了水分子的扩散。阻抗和极化测试结果显示,超疏水表面可以阻止腐蚀性阴离子在基体表面的扩散行为,提高金属的耐腐蚀性能。总之,该制备方法成本低、制备过程简单、制备时间短,具有实用性,有望在材料科学和工程领域广泛应用。

A technology for preparing superhydrophobic surfaces was introduced.The technology first uses sulfuric acid to etch the surface of aluminum substrate,and then uses stearic acid for low surface energy treatment,forming a double-layer air cushion structure to make the aluminum substrate surface superhydrophobic and corrosion-resistant.Experimental results show that this method can prepare a superhydrophobic surface with a contact angle of up to 151.2±1.5°and a rolling angle as low as 4.0±0.8°.Molecular dynamics simulations indicate that stearic acid molecules face the water droplets with their hydrophobic ends,and the hydrophilic ends face the sample,forming a monolayer film that prevents water molecules from diffusing.Impedance and polarization test results show that the superhydrophobic surface can prevent the diffusion behavior of corrosive anions on the substrate surface and improve the corrosion resistance of the metal.In summary,this low-cost,simple and fast preparation method has practicality and is expected to have wide applications in the field of materials science and engineering.