Thermodynamics of interfaces extended to nanoscales by introducing integral and differential surface tensions

W Dong - Proceedings of the National Academy of …, 2021 - National Acad Sciences
As a system shrinks down in size, more and more molecules are found in its surface region,
so surface contribution becomes a large or even a dominant part of its thermodynamic …

Equation of state for confined fluids

V Bråten, DT Zhang, M Hammer, A Aasen… - The Journal of …, 2022 - pubs.aip.org
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 …

Morphometric approach to many-body correlations in hard spheres

JF Robinson, F Turci, R Roth, CP Royall - Physical review letters, 2019 - APS
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 …

Connect the thermodynamics of bulk and confined fluids: Confinement-adsorption scaling

CZ Qiao, SL Zhao, HL Liu, W Dong - Langmuir, 2019 - ACS Publications
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 …

[HTML][HTML] Communication: Non-Hadwiger terms in morphological thermodynamics of fluids

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 …

Random process theory approach to geometric heterogeneous surfaces: Effective fluid–solid interaction

A Khlyupin, T Aslyamov - Journal of Statistical Physics, 2017 - Springer
Realistic fluid–solid interaction potentials are essential in description of confined fluids
especially in the case of geometric heterogeneous surfaces. Correlated random field is …

Surface free energy of a hard-sphere fluid at curved walls: Deviations from morphometric thermodynamics

RL Davidchack, BB Laird - The Journal of chemical physics, 2018 - pubs.aip.org
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 …

A general approach based on morphological thermodynamics for a fluid confined in various porous media

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 …

Chemical potential and surface free energy of a hard spherical particle in hard-sphere fluid over the full range of particle diameters

RL Davidchack, BB Laird - The Journal of Chemical Physics, 2022 - pubs.aip.org
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 …

Implications of interface conventions for morphometric thermodynamics

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 …