Guo Qiumin, Liu Yawei, Jiang Guangfeng, Zhang Xianren
School of Science, Beijing University of Chemical Technology, Beijing 100029, China.
Soft Matter. 2014 Feb 28;10(8):1182-8. doi: 10.1039/c3sm52260a.
Using the constrained lattice density functional theory, we investigated the mechanism of droplet condensation, including droplet nucleation and growth, on nanopillared substrates. We find that similar to a macroscopic droplet on such a substrate, the critical nucleus also exhibits either the Wenzel or Cassie wetting state, depending on both the pillar height and the interpillar spacing. Our calculations show that there exists a critical value of the interpillar spacing, above which the critical nucleus is always in the Wenzel state and the pillared substrate always promotes the nucleation as compared to the smooth substrate, regardless of the pillar height. Below the critical interpillar spacing, however, the pillars always inhibit the nucleation, and the wetting state of the critical nucleus depends on the pillar height. Furthermore, our results demonstrate that the wetting state of the critical nuclei is not necessarily the wetting state of the formed microdroplets: droplets originated from the critical nuclei in the Wenzel state may change into the Cassie state spontaneously during the droplet growth process if the pillar height is greater than a critical value.
我们使用受限晶格密度泛函理论,研究了纳米柱基底上液滴冷凝的机制,包括液滴成核与生长。我们发现,类似于这种基底上的宏观液滴,临界核也会呈现文策尔或卡西接触角状态,这取决于柱高和柱间距。我们的计算表明,存在一个柱间距的临界值,高于此值时,无论柱高如何,临界核始终处于文策尔状态,且与光滑基底相比,纳米柱基底总是促进成核。然而,在临界柱间距以下,纳米柱总是抑制成核,并且临界核的接触角状态取决于柱高。此外,我们的结果表明,临界核的接触角状态不一定是形成的微滴的接触角状态:如果柱高大于临界值,源自处于文策尔状态的临界核的液滴在液滴生长过程中可能会自发转变为卡西状态。