23 citations · 89 across the 8 of their papers we have counts for
4 papers · 1 filter
The roles of bulk and surface thermodynamics in the selective adsorption of a confined azeotropic mixture
Katie L. Y. Zhou, Anna T. Bui, Stephen J. Cox
Fluid mixtures that exhibit an azeotrope cannot be purified by simple bulk distillation. Consequently, there is strong motivation to understand the behavior of azeotropic mixtures…
Learning classical density functionals for ionic fluids
Anna T. Bui, Stephen J. Cox
Accurate and efficient theoretical techniques for describing ionic fluids are highly desirable for many applications across the physical, biological and materials sciences. With a…
Revisiting the Green-Kubo relation for friction in nanofluidics
Anna T. Bui, Stephen J. Cox
A central aim of statistical mechanics is to establish connections between a system's microscopic fluctuations and its macroscopic response to a perturbation. For non-equilibrium t…
A classical density functional theory for solvation across length scales
Anna T. Bui, Stephen J. Cox
A central aim of multiscale modeling is to use results from the Schrödinger Equation to predict phenomenology on length scales that far exceed those of typical molecular correlatio…