Nanodroplets of Polymer Solutions on Solid Surfaces: Equilibrium Structures and Solvent Evaporation,Macromolecules

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Nanodroplets of Polymer Solutions on Solid Surfaces: Equilibrium Structures and Solvent Evaporation
Macromolecules ( IF 5.1 ) Pub Date : 2020-12-03 , DOI: 10.1021/acs.macromol.0c02217
Vitaly S. Kravchenko _{1,

2,

3} , Igor I. Potemkin _{1,

2,

4}

Affiliation

We propose computer simulations revealing the internal structure of liquid droplets formed by polymer solutions. Both suspended and droplets placed on a solid surface are simulated. In the case of droplets, which are in equilibrium with the solvent vapor (nonvolatile droplets), distribution of polymer chains is studied versus thermodynamic quality of the solvent (good and bad) and interactions of the polymer and the solvent with the surface. Both swollen and collapsed states of the chains within the droplet, their localization at the liquid–vapor interface, and adsorption on the solid surface are predicted. We construct various diagrams of states of the droplets. Then, we simulate a fast solvent evaporation from the droplet placed on a solid surface and study nonequilibrium polymer structures. The conditions for the appearance of a coffee ring (a ring-wise distribution of polymer after solvent evaporation) and homogeneous polymer layer are predicted.

中文翻译：

固体表面上聚合物溶液的纳米液滴：平衡结构和溶剂蒸发

我们提出了计算机模拟，揭示了由聚合物溶液形成的液滴的内部结构。模拟了悬浮液和放置在固体表面上的液滴。在与溶剂蒸汽平衡的液滴（非挥发性液滴）的情况下，研究了聚合物链的分布与溶剂的热力学性质（好和坏）以及聚合物和溶剂与表面的相互作用的关系。可以预测液滴中链的溶胀和塌陷状态，它们在液-气界面的定位以及在固体表面的吸附。我们构建了液滴状态的各种图表。然后，我们模拟了从放置在固体表面上的液滴中快速蒸发溶剂的过程，并研究了非平衡聚合物结构。

更新日期：2020-12-22

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