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The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannel: A molecular dynamics study

Abstract

The ionic liquid (IL) flow in graphene oxide (GO) nanochannel plays a key role in the performance of the IL and GO based fluidics devices and other chemical separator techniques. Here, we investigate the flow behavior of IL in GO nanochannel via molecular dynamics simulations. The quantitative relation between slip velocity and shear stress has been identified, showing that the interfacial friction coefficient can be enhanced by almost sixty times, while slip length is reduced by about three orders of magnitude, with the concentration of hydroxyls in graphene ranging from 0% to 15%. The great change of interfacial properties can be attributed to the structure change of IL layer near GO, which is proved by the detailed analysis on density distribution, charge distribution and radial distribution function. Besides, the viscosity will increase as concentration of hydroxyls because of the partial breaking of coulombic ordering of confined IL. Meanwhile, the hydroxyls have more significant effects on IL flow than water flow in GO nanochannel due to the stronger interaction network in IL/GO interface. In a word, hydroxyation can be a convincing method to regulate the IL flow in nanochannel. The quantitative properties of confined IL in GO nanochannel and its relation with concentration of hydroxyls could deepen the understanding on IL and benefit the application of IL and GO in the fields of chemical engineering and other various nanofluidic devices.

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Publication details

The article was received on 16 Apr 2018, accepted on 31 May 2018 and first published on 31 May 2018


Article type: Paper
DOI: 10.1039/C8CP02408A
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannel: A molecular dynamics study

    Y. Wang, F. Huo, H. He and S. Zhang, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP02408A

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