Molecular Dynamics Simulation of the Oil–Water Interface Behavior of Modified Graphene Oxide and Its Effect on Interfacial Phenomena

Molecular Dynamics Simulation of the Oil–Water Interface Behavior of Modified Graphene Oxide and Its Effect on Interfacial Phenomena

Graphene oxide, as a new two-dimensional material, has a large specific surface area, high thermal stability, excellent mechanical stability and exhibits hydrophilic properties. By combining the carboxyl groups on the surface of graphene oxide with hydrophilic groups, surfactant-like polymers can be...

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Bibliographic Details
Main Authors: Jianzhong Wang, Suo Tian, Xiaoze Liu, Xiangtao Wang, Yue Huang, Yingchao Fu, Qingfa Xu
Format: Article
Language:English
Published: MDPI AG 2022-06-01
Series:Energies
Subjects:
modified graphene oxide
self-aggregation phenomena
molecular morphology changes
interfacial tension
firstness principle
all-atom molecular dynamics simulations
Online Access:https://www.mdpi.com/1996-1073/15/12/4443

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https://www.mdpi.com/1996-1073/15/12/4443

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