Tuning density profiles and mobility of inhomogeneous fluids.
Density profiles are the most common measure of inhomogeneous structure in confined fluids, but their connection to transport coefficients is poorly understood. We explore via simulation how tuning particle-wall interactions to flatten or enhance the particle layering of a model confined fluid impacts its self-diffusivity, viscosity, and entropy. Interestingly, interactions that eliminate particle layering significantly reduce confined fluid mobility, whereas those that enhance layering can have the opposite effect. Excess entropy helps to understand and predict these trends.
Goel
Gaurav
G
Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712, USA.
Krekelberg
William P
WP
Errington
Jeffrey R
JR
Truskett
Thomas M
TM