Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …

In this tutorial review, we discuss the use of classical density functional theory (DFT) to
understand adsorption/desorption hysteresis phenomena for fluids confined in mesoporous …

Macroscopic characterizations of hydrophobicity (eg, contact angle measurements) do not
extend to the surfaces of proteins and nanoparticles. Molecular measures of hydrophobicity …

The adsorption dynamics and mechanism of nitrogen molecules in 1–7 nm carbon
nanotubes (CNTs) at 77 K were investigated by experiments and molecular dynamics …

Mixed matrix membranes (MMMs), incorporating graphene and graphene oxide structural
fragments, have emerged as promising materials for challenging gas separation processes …

We have studied the filling dynamics of model capillaries using dynamic mean field theory
for a confined lattice gas and Kawasaki dynamics simulations. We have found two different …

The arrangement of ionic liquids (ILs) within mesoporous ordered silica SBA-15 is revealed
from nitrogen physisorption experiments combined with non-local density functional theory …

We consider the dynamics of capillary condensation and evaporation in model pore
networks in the context of a recently developed dynamic mean field theory. We have applied …

Water in pure silica zeolites (zeosils) may behave as a “bumper” by absorbing mechanical
energy of the intruded water, as a “spring” by restoring after extrusion of the energy spent in …

This work offers a computationally efficient theoretical framework to investigate transport
phenomena in complex systems such as mixed matrix membranes (MMMs). It is …