Equilibrium Simulation of the Slip Coefficient in Nanoscale Pores

TL;DR

This paper derives a new expression for the slip coefficient in nanoscale pores, enabling accurate predictions of interfacial slip using equilibrium simulations, which aligns well with molecular dynamics results.

Contribution

It introduces a novel, assumption-free formula for the slip coefficient that relies solely on equilibrium simulation data, improving upon empirical models.

Findings

The new slip coefficient expression matches non-equilibrium molecular dynamics results.

Flow rate predictions using the new model are highly accurate.

The method simplifies slip prediction in nanoscale fluid dynamics.

Abstract

Accurate prediction of interfacial slip in nanoscale channels is required by many microfluidic applications. Existing hydrodynamic solutions based on Maxwellian boundary conditions include an empirical parameter that depends on material properties and pore dimensions. This paper presents a derivation of a new expression for the slip coefficient that is not based on the assumptions concerning the details of solid-fluid collisions and whose parameters are obtainable from \textit{equilibrium} simulation. The results for the slip coefficient and flow rates are in good agreement with non-equilibrium molecular dynamics simulation.