Evaporation Flux Distribution of Drops on a Hydrophilic or Hydrophobic Flat Surface by Molecular Simulations.
Evaporation Flux Distribution of Drops on a Hydrophilic or Hydrophobic Flat Surface by Molecular Simulations.
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DOI：
10.1021/acs.langmuir.6b01986
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发表时间：
2016-08
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影响因子：
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通讯作者：
Chiyu Xie;Guangzhi Liu;Moran Wang
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文献类型：
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作者：
Chiyu Xie;Guangzhi Liu;Moran Wang
采用分子动力学模拟方法研究了固着液滴的蒸发通量分布。将蒸发模式分为扩散主导模式、衬底加热模式和环境加热模式。亲水性和疏水性液滴-基质相互作用被认为是。为了计算蒸发通量分布，这是依赖于位置，我们提出了一种基于方位角的分割方法的假设下，球冠形状的液滴。模拟结果表明，边缘蒸发，在所有三种模式中，亲水液滴在接触线附近的渗透率都有所提高。对于亲水性的情况，吸附在固体基底上的液体分子的表面扩散和空间扩散对提高边缘蒸发速率起着重要的作用。对于疏水液滴，边缘蒸发通量是较高的基板加热模式，但低于其他地方的下降的扩散为主模式，然而，一个几乎均匀的分布被发现为环境加热模式。结果表明，液滴内部的温度分布对蒸发通量的位置依赖性起着关键作用。
The evaporation flux distribution of sessile drops is investigated by molecular dynamic simulations. Three evaporating modes are classified, including the diffusion dominant mode, the substrate heating mode, and the environment heating mode. Both hydrophilic and hydrophobic drop-substrate interactions are considered. To count the evaporation flux distribution, which is position dependent, we proposed an azimuthal-angle-based division method under the assumption of spherical crown shape of drops. The modeling results show that the edge evaporation, i.e., near the contact line, is enhanced for hydrophilic drops in all the three modes. The surface diffusion of liquid molecular absorbed on solid substrate for hydrophilic cases plays an important role as well as the space diffusion on the enhanced evaporation rate at the edge. For hydrophobic drops, the edge evaporation flux is higher for the substrate heating mode, but lower than elsewhere of the drop for the diffusion dominant mode; however, a nearly uniform distribution is found for the environment heating mode. The evidence shows that the temperature distribution inside drops plays a key role in the position-dependent evaporation flux.