Seveno David, Ogonowski Gregory, De Coninck Joël
Centre for Research in Molecular Modeling, Materia Nova, University of Mons-Hainaut, Av. Copernic, 1, B-7000 Mons, Belgium.
Langmuir. 2004 Sep 14;20(19):8385-90. doi: 10.1021/la049574y.
Using large scale molecular dynamics, we study the contact line motion of a liquid meniscus crossed by a moving nanofiber. Varying the amplitude of the liquid/solid interactions, we analyze the shape of the meniscus versus time for a range of velocities. The associated contact angles are estimated by fitting the profiles using the James equation. The corresponding flux lines describing the displacement of the liquid molecules inside the meniscus have also been measured. The analysis of the dynamic contact angle is in agreement with the molecular-kinetic theory and confirms the existence of an optimal speed for wetting.
我们使用大规模分子动力学方法,研究了移动的纳米纤维穿过时液体弯月面的接触线运动。通过改变液固相互作用的幅度,我们分析了一系列速度下弯月面形状随时间的变化。使用詹姆斯方程拟合轮廓来估计相关的接触角。还测量了描述弯月面内液体分子位移的相应通量线。动态接触角的分析与分子动力学理论一致,并证实了存在最佳润湿速度。