Water adsorption on carbonaceous materials has been studied increasingly in the recent
years, not only because of its impact on many industrial processes, but also motivated by a …

This review presents the state of the art of molecular simulation and theory of adsorption,
intrusion and freezing in porous silica. Both silica pores of a simple geometry and …

We use molecular dynamics simulations to investigate the coexistence between confined ice
and liquid water as a function of temperature for a series of cylindrical nanopores with water …

The restriction of hydrocarbon migration within shale reservoirs by pre-adsorbed water
necessitates an investigation into water adsorption control mechanisms within shales. In this …

Predicting the temperature and extent of ice freezing in aqueous solutions is crucial for
areas as diverse as cryobiology and materials design. It has long been recognized that the …

The morphology of liquid–liquid phase separated aerosols has a strong impact on their rate
of gas and water uptake, and the type and rate of heterogeneous reactions in the …

In the spatial confinement of cylindrical mesopores with diameters of a few nanometers,
water molecules experience restrictions in hydrogen bonding. This leads to a different …

Mesoporous titania is a highly studied material due to its energy and environment-related
applications, which depend on its tailored surface and electronic properties. Understanding …

The motivation of this study is to elucidate how the condensation and desorption pressures
in water sorption isotherms depend on the contact angle. This question is investigated for …

The relationship between enhancement flow and structure of core-softened fluids confined
inside nanotubes has been studied using nonequilibrium molecular dynamics simulation …