Fluids confined in small volumes behave differently than fluids in bulk systems. For bulk systems, a compact summary of the system's thermodynamic properties is provided by …
We model the thermodynamics of local structures within the hard sphere liquid at arbitrary volume fractions through the morphometric calculation of n-body correlations. We calculate …
A fluid (a gas or a liquid) adsorbed in a porous material can behave very differently from its bulk counterpart. The advent of various synthesized materials with nanopores and their wide …
H Hansen-Goos - The Journal of Chemical Physics, 2014 - pubs.aip.org
We demonstrate that the Hadwiger form of the free energy of a fluid in contact with a wall is insufficient to describe the low-density behavior of a hard-sphere fluid. This implies that …
Realistic fluid–solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is …
We report molecular-dynamics (MD) simulation results for the surface free energy of a hard- sphere fluid at cylindrical and spherical hard walls of different radii. The precision of the …
CZ Qiao, HR Jiang, SL Zhao, W Dong - Journal of Molecular Liquids, 2023 - Elsevier
We propose a general approach based on morphological thermodynamics for determining adsorption isotherms, ie, the chemical potential of a confined fluid as a function of its density …
The excess chemical potential μ ex (σ, η) of a test hard spherical particle of diameter σ in a fluid of hard spheres of diameter σ 0 and packing fraction η can be computed with high …
A Reindl, M Bier, S Dietrich - Physical Review E, 2015 - APS
Several model fluids in contact with planar, spherical, and cylindrical walls are investigated for small number densities within density functional theory. The dependence of the solid …