Atomistic engineering of fluid Structure at the fluid-solid interface

Under extreme confinement, fluids exhibit a number of remarkable effects that cannot be predicted using macroscopic fluid mechanics. These phenomena are especially pronounced when the confining length scale is comparable to the fluid's internal (molecular) length scale. Elucidating the physical principles governing nanoconfined fluids is critical for many pursuits in nanoscale engineering. In this thesis, we present several theoretical and computational results on the structure and transport properties of nanoconfined fluids. We begin by discussing the phenomenon of fluid layering at a solid interface. Using molecular-mechanics principles and molecular-dynamics (MD) simulations, we develop several models to characterize density inhomogeneities in the interfacial region. Along the way, we introduce a non-dimensional number that predicts the extent of fluid layering by comparing the effects of fluid-solid interaction to thermal energy.

Name thesis:degree_name

Doctoral

Department dc:contributor.department

Massachusetts Institute of Technology. Department of Mechanical Engineering

Grantor dc:publisher

Massachusetts Institute of Technology

Year dc:date.issued

2019

Author dc:creator

• Wang, Gerald J.(Gerald Jonathan)

Advisor dc:contributor.advisor

• Nicolas G. Hadjiconstantinou.

• Mechanical Engineering.

Statement dc:rights

• MIT theses are protected by copyright. They may be viewed, downloaded, or printed from this source but further reproduction or distribution in any format is prohibited without written permission.

Licence dc:rights.uri

• http://dspace.mit.edu/handle/1721.1/7582

Language dc:language.iso

eng

Handle dc:identifier.uri

https://hdl.handle.net/1721.1/121850

OAI identifier oai:identifier

oai:dspace.mit.edu:1721.1/121850