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氧化石墨烯上的水加速蒸发。

Accelerated evaporation of water on graphene oxide.

作者信息

Wan Rongzheng, Shi Guosheng

机构信息

Division of Interfacial Water and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, Chinese Academy of Sciences, P.O. Box 800-204, Shanghai, 201800, China.

出版信息

Phys Chem Chem Phys. 2017 Mar 29;19(13):8843-8847. doi: 10.1039/c7cp00553a.

Abstract

Using molecular dynamics simulations, we show that the evaporation of nanoscale volumes of water on patterned graphene oxide is faster than that on homogeneous graphene oxide. The evaporation rate of water is insensitive to variation in the oxidation degree of the oxidized regions, so long as the water film is only distributed on the oxidized regions. The evaporation rate drops when the water film spreads onto the unoxidized regions. Further analysis showed that varying the oxidation degree observably changed the interaction between the outmost water molecules and the solid surface, but the total interaction for the outmost water molecules only changed a very limited amount due to the correspondingly regulated water-water interaction when the water film is only distributed on the oxidized regions. When the oxidation degree is too low and some unoxidized regions are also covered by the water film, the thickness of the water film decreases, which extends the lifetime of the hydrogen bonds for the outmost water molecules and lowers the evaporation rate of the water. The insensitivity of water evaporation to the oxidation degree indicates that we only need to control the scale of the unoxidized and oxidized regions for graphene oxide to regulate the evaporation of nanoscale volumes of water.

摘要

通过分子动力学模拟,我们发现,图案化氧化石墨烯上纳米级体积水的蒸发速度比均匀氧化石墨烯上的更快。只要水膜仅分布在氧化区域,水的蒸发速率对氧化区域氧化程度的变化不敏感。当水膜扩散到未氧化区域时,蒸发速率下降。进一步分析表明,改变氧化程度会显著改变最外层水分子与固体表面之间的相互作用,但当水膜仅分布在氧化区域时,由于相应调节的水-水相互作用,最外层水分子的总相互作用仅发生非常有限的变化。当氧化程度过低且一些未氧化区域也被水膜覆盖时,水膜厚度减小,这延长了最外层水分子氢键的寿命并降低了水的蒸发速率。水蒸发对氧化程度的不敏感性表明,我们只需控制氧化石墨烯未氧化和氧化区域的尺度,就能调节纳米级体积水的蒸发。

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