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

Area of Science:

• Materials Science
• Physical Chemistry
• Nanotechnology

Background:

• Ionic liquid (IL) flow within graphene oxide (GO) nanochannels is crucial for advanced fluidics and separation technologies.
• Understanding interfacial phenomena is key to optimizing the performance of IL- and GO-based devices.

Purpose of the Study:

• To investigate the influence of hydroxylation on ionic liquid flow dynamics in graphene oxide nanochannels.
• To quantify the relationship between interfacial properties and the degree of hydroxylation.

Main Methods:

• Molecular dynamics simulations were employed to model ionic liquid behavior in GO nanochannels.
• Analysis included density distribution, charge distribution, and radial distribution functions to probe structural changes.

Main Results:

• A quantitative link between slip velocity and shear stress was established, revealing significant changes in interfacial friction and slip length with varying hydroxylation (0-15%).
• Hydroxylation-induced structural modifications in confined IL layers were identified as the cause of altered interfacial properties.
• Increased viscosity was observed with higher hydroxylation due to disrupted coulombic ordering of ILs.

Conclusions:

• Hydroxylation serves as an effective strategy for precisely regulating ionic liquid flow within nanochannels.
• The findings provide quantitative insights into confined IL behavior, benefiting the design and application of IL/GO-based nanofluidic systems and chemical engineering processes.