Layering Theory of Liquids at Solid Interfaces: Interfacial Layering Oscillator Model

TL;DR

This paper presents the Interfacial Layering Oscillator Model (ILOM), a semi-phenomenological framework that accurately predicts oscillatory density profiles of liquids near solid interfaces, aiding understanding of nanoscale interfacial phenomena.

Contribution

The paper introduces ILOM, a new differential equation-based model that captures interfacial layering with high accuracy and computational efficiency, applicable to various liquids and surface types.

Findings

ILOM accurately predicts amplitude, decay, and wavelength of interfacial layering.

Model validated against molecular dynamics simulations.

Applicable to multiple liquids and surface wettability conditions.

Abstract

The structural organization of liquids near solid interfaces profoundly influences phenomena such as wettability, nanofluidic transport, and interfacial heat transfer. This study introduces the Interfacial Layering Oscillator Model (ILOM), a concise, semi-phenomenological framework that accurately captures the oscillatory density profiles of liquids adjacent to planar solid surfaces. By deriving a second-order differential equation rooted in classical statistical mechanics and calibrated with molecular dynamics simulations, ILOM predicts the amplitude, decay rate, and wavelength of interfacial density layering with exceptional computational efficiency. This versatile model applies to both hydrophilic and hydrophobic surfaces and extends to liquids beyond water, including methanol, providing valuable insights into critical interfacial properties that advance nanoscale fluid mechanics and material design.