Molecular Origin of Contact Line Friction in Dynamic Wetting

TL;DR

This study uses molecular dynamics simulations to reveal that contact line motion during wetting is governed by molecular-scale friction involving individual molecules, with energy dissipation comparable to that in the droplet bulk.

Contribution

It uncovers the molecular mechanisms of contact line friction in wetting, highlighting the role of single-molecule processes and thermal activation.

Findings

Contact line advances via molecules moving or displacing others.

Friction at the contact line is comparable to bulk dissipation.

Friction increases as the contact angle decreases.

Abstract

A hydrophilic liquid, such as water, forms hydrogen bonds with a hydrophilic substrate. The strength and locality of the hydrogen bonding interactions prohibit slip of the liquid over the substrate. The question then arises how the contact line can advance during wetting. Using large-scale molecular dynamics simulations we show that the contact line advances by single molecules moving ahead of the contact line through two distinct processes: either moving over or displacing other liquid molecules. In both processes friction occurs at the molecular scale. We measure the energy dissipation at the contact line and show that it is of the same magnitude as the dissipation in the bulk of a droplet. The friction increases significantly as the contact angle decreases, which suggests suggests thermal activation plays a role. We provide a simple model that is consistent with the observations.