Department of Chemical Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, United States.
Langmuir. 2012 Oct 9;28(40):14227-37. doi: 10.1021/la3026304. Epub 2012 Sep 28.
We present a theoretical model for predicting equilibrium wetting configurations of two-dimensional droplets on periodically grooved hydrophobic surfaces. The main advantage of our model is that it accounts for pinning/depinning of the contact line at step edges, a feature that is not captured by the Cassie and Wenzel models. We also account for the effects of gravity (via the Bond number) on various wetting configurations that can occur. Using free-energy minimization, we construct phase diagrams depicting the dependence of the wetting modes (including the number of surface grooves involved in the wetting configuration) and their corresponding contact angles on the geometrical parameters characterizing the patterned surface. In the limit of vanishing Bond number, the predicted wetting modes and contact angles become independent of drop size if the geometrical parameters are scaled with drop radius. Contact angles predicted by our continuum-level theoretical model are in good agreement with corresponding results from nanometer-scale molecular dynamics simulations. Our theoretical predictions are also in good agreement with experimentally measured contact angles of small drops, for which gravitational effects on interface deformation are negligible. We show that contact-line pinning is important for superhydrophobicity and that the contact angle is maximized when the droplet size is comparable to the length scale of the surface pattern.
我们提出了一个理论模型,用于预测二维液滴在周期性槽状疏水表面上的平衡润湿构型。我们的模型的主要优点是它考虑了接触线在台阶边缘处的固定/去固定,这是卡西和温泽尔模型无法捕捉到的特征。我们还考虑了重力(通过邦数)对可能发生的各种润湿构型的影响。通过自由能最小化,我们构建了相图,描绘了润湿模式(包括参与润湿构型的表面凹槽数量)及其相应接触角对特征化表面的几何参数的依赖性。在邦数趋于零时,如果几何参数与液滴半径成比例缩放,则预测的润湿模式和接触角将与液滴尺寸无关。我们的连续体理论模型预测的接触角与相应的纳米尺度分子动力学模拟结果吻合良好。我们的理论预测也与小液滴的实验测量接触角吻合良好,因为对于小液滴,重力对界面变形的影响可以忽略不计。我们表明,接触线固定对于超疏水性很重要,并且当液滴尺寸与表面图案的尺度相当时,接触角最大。