Molecular Dynamics Simulation Study of a Polymer Droplet Transport Over an Array of Spherical Nanoparticles
Nikolai V. Priezjev, Ph.D. (Advisor); Ahsan Mian, Ph.D. (Committee Member); Sheng Li, Ph.D. (Committee Member)
Master of Science in Mechanical Engineering (MSME)
This study uses molecular dynamics simulations to evaluate the dynamic behavior of a partially wetting polymer droplet driven over a nanostructured interface. We consider the bead-spring model to represent a polymeric liquid that partially wets a rough surface composed of a periodic array of spherical particles. Results show that at sufficiently small values of external force, the droplet remains pinned at the particle's surface, whereas above the threshold its motion consists of alternating periods of pinning and rapid displacements between neighboring particles. The latter process involves large periodic variation of the advancing and receding contact angles due to the attachment and detachment of the contact line. Finally, upon increasing the external force, the droplet's center of mass is steadily displaced, while at the same time the oscillation amplitude of the receding contact angle as well as the maximum contact angle hysteresis remain relatively unchanged.
Department or Program
Department of Mechanical and Materials Engineering
Year Degree Awarded
Copyright 2022, all rights reserved. My ETD will be available under the "Fair Use" terms of copyright law.