官能团种类对氧化镧表面疏水性能影响的理论研究

In recent years, superhydrophobic materials have attracted more and more attention due to their unique properties. The rare-earth oxides are widely used in the preparation of superhydrophobic materials because of their excellent hydrophobic properties. In the field of engineering application, organics are often used to modify the surface of materials to obtain super-hydrophobic materials, while people are only limited to the preparation of materials, and have no understanding of its reaction principle and hydrophobic mechanism, especially for organics containing functional groups. Therefore, the molecular mechanics method was used to study the effect of organic carbon chain and functional groups on the hydrophobicity of lanthanum oxide surfaces.It was found that the organic matter adsorbed on the surface of lanthanum oxide could produce hydrophobic effect by reducing the surface free energy.In addition,the organics with 9 carbon chain lengths and acidic functional groups are favorable for producing good hydrophobicity.