【摘要】 采用分子动力学模拟方法,研究了水-正十六烷混合物纳米液滴在光滑及粗糙壁面上的润湿特性。模拟结果表明,对于光滑的疏液性和亲液性壁面,随着温度的升高,混合物纳米液滴的接触角呈总体增大的趋势;随着正十六烷体积百分数的增加,混合物纳米液滴的接触角增大。对于疏液性粗糙壁面,随着凸起高度的增加,混合物纳米液滴的接触状态由Wenzel模式转换成Cassie模式,其接触角逐渐增大;随着凹陷宽度的增加,混合纳米液滴的接触状态由Cassie态转变为Wenzel态,其接触角总体上是减小的。对于亲液性粗糙壁面,混合物纳米液滴的接触状态均为Wenzel模式;随着凸起高度的增加,接触角呈总体增加的趋势。更多还原

【Abstract】 Wetting characteristics of water-n-hexadecane mixture nanodroplets on the smooth and roughsurfaces are explored by molecular dynamics simulation.Simulation results show that for the smooth hydrophobic and hydrophilic surfaces,the contact angles of the mixture nanodroplets shows a totality increasing trend with the temperatures increase,and the contact angles of the mixture nanodroplets increase with the increase of the percentage of n-hexadecane volume.For the hydrophobic rough surface,the contact states of the mixture nanodroplets change from Wenzel mode to Cassie mode with the increase of the convex height,and the contact angles increase significantly.As the width of the depression increases,the contact states of the mixture nanodroplets change from Cassie mode to Wenzel mode,and the contact anglesgenerallydecrease.For the hydrophilic rough surface,the contact state of the mixture nanodroplets is Wenzel model,and with the increase of the bump height,the contact angle increases generally.更多还原