Dynamics of Spreading of Chainlike Molecules with Asymmetric Surface Interactions

TL;DR

This study investigates how asymmetric surface interactions influence the spreading behavior of chainlike molecules, revealing persistent local order and matching experimental spreading regimes and density profiles.

Contribution

It introduces a molecular dynamics model for asymmetric chainlike molecules that captures spreading dynamics and local order, aligning with experimental observations.

Findings

Precursor film exhibits high local order even for flexible chains

Spreading radius follows a square root of time growth regime

Transport coefficients agree with experimental data

Abstract

In this work we study the spreading dynamics of tiny liquid droplets on solid surfaces in the case where the ends of the molecules feel different interactions with respect to the surface. We consider a simple model of dimers and short chainlike molecules that cannot form chemical bonds with the surface. We use constant temperature Molecular Dynamics techniques to examine in detail the microscopic structure of the time dependent precursor film. We find that in some cases it can exhibit a high degree of local order that can persist even for flexible chains. Our model also reproduces the experimentally observed early and late-time spreading regimes where the radius of the film grows proportional to the square root of time. The ratios of the associated transport coefficients are in good overall agreement with experiments. Our density profiles are also in good agreement with measurements on the spreading of molecules on hydrophobic surfaces.