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Synthesis of Graphene Nanofluids with Controllable Flake Size Distributions

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Slip flow in graphene nanochannels.

Sridhar Kumar Kannam¹, B D Todd, J S Hansen

¹Mathematics, Faculty of Engineering and Industrial Sciences and Centre for Molecular Simulation, Swinburne University of Technology, Melbourne, Victoria 3122, Australia. urssrisri@gmail.com

The Journal of Chemical Physics

|October 21, 2011

Summary

This summary is machine-generated.

We developed a new equilibrium molecular dynamics (EMD) method to accurately predict nanofluidic slip length and interfacial friction. This EMD approach offers advantages over traditional nonequilibrium molecular dynamics (NEMD) simulations for studying fluid flow in nanochannels.

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Area of Science:

Fluid dynamics
Nanotechnology
Computational physics

Background:

Understanding hydrodynamic boundary conditions is crucial for nanofluidics.
Traditional methods for calculating slip length can be computationally intensive.

Purpose of the Study:

To investigate the hydrodynamic boundary condition in simple nanofluidic systems.
To propose and validate a novel equilibrium molecular dynamics (EMD) method for predicting slip length and interfacial friction.

Main Methods:

Utilized equilibrium molecular dynamics (EMD) simulations with a recently proposed method.
Calculated fluid-graphene interfacial friction coefficient to predict slip length and slip velocity.
Validated EMD predictions using direct nonequilibrium molecular dynamics (NEMD) simulations (Poiseuille and Couette flows).

Main Results:

EMD method accurately predicts slip length and slip velocity.
Achieved excellent agreement between EMD predictions and NEMD simulation results.
Demonstrated the efficiency of the EMD method for calculating intrinsic friction coefficients.

Conclusions:

The proposed EMD method provides a direct and efficient way to calculate slip length and interfacial friction in nanofluidic systems.
EMD simulations offer significant advantages over NEMD for studying nanofluidic transport, especially at low gradients.
The study also examined the dynamic behavior of slip under external fields and shear rates.