Perspective: New directions in dynamical density functional theory

M Te Vrugt, R Wittkowski - Journal of Physics: Condensed Matter, 2022 - iopscience.iop.org
Classical dynamical density functional theory (DDFT) has become one of the central
modeling approaches in nonequilibrium soft matter physics. Recent years have seen the …

Analyses of pore-size-dependent ionic transport in nanopores in the presence of concentration and temperature gradients

D Seo, D Kim, S Seo, J Park, T Kim - ACS Applied Materials & …, 2022 - ACS Publications
Mass transport through nanopores occurs in various natural systems, including the human
body. For example, ion transport across nerve cell membranes plays a significant role in …

Enhanced Separation Performance of Hierarchically Porous Membranes Fabricated via the Combination of Crystallization Template and Foaming

J Shi, J Zhou, D Fan, T Lin, J Wang, J Zhao, A Ronen… - Polymers, 2022 - mdpi.com
In this work, poly (vinylidene fluoride)(PVDF) hierarchically porous membranes (HPMs) with
isolated large pores and continuous narrow nano-pores have been fabricated from its blend …

Molecular design of polyimides of intrinsic microporosity for biofuel purification

R Shi, M Wang, S Zhao, J Jiang - Journal of Membrane Science, 2024 - Elsevier
As a renewable energy resource, biofuel has received scientific, public and commercial
interests worldwide; however, its purification is a prerequisite prior to utilization. Membrane …

High-performance separation for ultra-low concentration nanoparticles with mesoporous silica thin membrane

SL Lee, J Thomas, CY Mou, CL Liu, KL Tung - Separation and Purification …, 2024 - Elsevier
Mesoporous silica thin film membrane (MSTF) emerges as an ideal ultrafiltration membrane
for the removal of nanoparticles, ensuring the production of particle-free water. This is mainly …

Reaction and diffusion coupling on polymer-modified surface: insights from dynamic reaction density functional theory

G Jing, W Tang, S Zhao, X Xu - Industrial & Engineering Chemistry …, 2023 - ACS Publications
Polymer modification on catalyst surface is one of the important means to regulate the
catalytic reaction performance. The modification can affect the spatial distribution and …