Classical dynamical density functional theory: from fundamentals to applications

M te Vrugt, H Löwen, R Wittkowski - Advances in Physics, 2020 - Taylor & Francis
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 …

Effect of ionomer swelling and capillary condensation of water on porous characteristics in cathode catalyst layers of polymer electrolyte membrane fuel cells under …

T Kaneko, J Ooyama, M Ohki, H Kanesaka… - International Journal of …, 2023 - Elsevier
Reducing oxygen diffusion resistance in the cathode catalyst layer of polymer electrolyte fuel
cells under humidified conditions is essential for reducing the cost of expensive platinum …

Liquid drops on a surface: Using density functional theory to calculate the binding potential and drop profiles and comparing with results from mesoscopic modelling

AP Hughes, U Thiele, AJ Archer - The Journal of Chemical Physics, 2015 - pubs.aip.org
The contribution to the free energy for a film of liquid of thickness h on a solid surface due to
the interactions between the solid-liquid and liquid-gas interfaces is given by the binding …

Relation between oxygen gas diffusivity and porous characteristics under capillary condensation of water in cathode catalyst layers of polymer electrolyte membrane …

T Kaneko, Y Yoshimoto, T Hori, S Takagi… - International Journal of …, 2020 - Elsevier
We present a coupled simulation method for evaluating oxygen diffusivity in cathode catalyst
layers of polymer electrolyte membrane fuel cells under capillary condensation of water …

Water Condensation in the Nanoscale Pores of Pt/C Catalyst Particles and Its Impact on Catalyst Utilization: A Simulation Based on a Reconstructed Structure from …

CJC Otic, S Katayama, M Arao… - … Applied Materials & …, 2024 - ACS Publications
In polymer electrolyte membrane fuel cells, carbon-supported platinum (Pt/C) catalyst
particles require sufficient water condensation within the nanoscale pores to effectively …

Dynamic magnetic properties the spin-1 Ising model with bilinear and biquadratic interactions within the path probability method

M Ertaş, M Keskin - Physica A: Statistical Mechanics and its Applications, 2019 - Elsevier
Dynamic magnetic properties the spin-1 Ising model with bilinear and biquadratic
interactions under the oscillating magnetic field are studied by using the path probability …

Effect of capillary condensation on gas transport properties in porous media

Y Yoshimoto, T Hori, I Kinefuchi, S Takagi - Physical Review E, 2017 - APS
We investigate the effect of capillary condensation on gas diffusivity in porous media
composed of randomly packed spheres with moderate wettability. To simulate capillary …

[HTML][HTML] Dynamic density functional theory with hydrodynamic interactions: Theoretical development and application in the study of phase separation in gas-liquid …

ES Kikkinides, PA Monson - The Journal of Chemical Physics, 2015 - pubs.aip.org
Building on recent developments in dynamic density functional theory, we have developed a
version of the theory that includes hydrodynamic interactions. This is achieved by combining …

Direct Observation of the Xenon Physisorption Process in Mesopores by Combining In Situ Anomalous Small-Angle X-ray Scattering and X-ray Absorption …

E Gericke, D Wallacher, R Wendt, G Greco… - The Journal of …, 2021 - ACS Publications
The morphology and structural changes of confined matter are still far from being
understood. This report deals with the development of a novel in situ method based on the …