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Nanomaterials 2017, 7(9), 265;

Rapid Evaporation of Water on Graphene/Graphene-Oxide: A Molecular Dynamics Study

Chongqing Key Laboratory of Heterogeneous Material Mechanics, College of Aerospace Engineering, Chongqing University, Chongqing 400044, China
Key Laboratory of Low-Grade Energy Utilization Technology & System, Ministry of Education, College of Power Engineering, Chongqing University, Chongqing 400044, China
Department of Earth and Environmental Engineering, Columbia University, New York, NY 10027, USA
Author to whom correspondence should be addressed.
Received: 6 August 2017 / Revised: 2 September 2017 / Accepted: 5 September 2017 / Published: 7 September 2017
(This article belongs to the Special Issue Nanomaterials for Renewable and Sustainable Energy)
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To reveal the mechanism of energy storage in the water/graphene system and water/grapheme-oxide system, the processes of rapid evaporation of water molecules on the sheets of graphene and graphene-oxide are investigated by molecular dynamics simulations. The results show that both the water/graphene and water/grapheme-oxide systems can store more energy than the pure water system during evaporation. The hydroxyl groups on the surface of graphene-oxide are able to reduce the attractive interactions between water molecules and the sheet of graphene-oxide. Also, the radial distribution function of the oxygen atom indicates that the hydroxyl groups affect the arrangement of water molecules at the water/graphene-oxide interface. Therefore, the capacity of thermal energy storage of the water/graphene-oxide system is lower than that of the water/graphene system, because of less desorption energy at the water/graphene-oxide interface. Also, the evaporation rate of water molecules on the graphene-oxide sheet is slower than that on the graphene sheet. The Leidenfrost phenomenon can be observed during the evaporation process in the water/grapheme-oxide system. View Full-Text
Keywords: graphene; graphene-oxide; water; evaporation; molecular dynamics simulation graphene; graphene-oxide; water; evaporation; molecular dynamics simulation

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Li, Q.; Xiao, Y.; Shi, X.; Song, S. Rapid Evaporation of Water on Graphene/Graphene-Oxide: A Molecular Dynamics Study. Nanomaterials 2017, 7, 265.

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