Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies

IN Tsimpanogiannis, OA Moultos, LFM Franco… - Molecular …, 2019 - Taylor & Francis
We present a detailed overview of classical molecular simulation studies examining the self-
diffusion coefficient of water. The self-diffusion coefficient is directly associated with the …

A review on artificial water channels incorporated polyamide membranes for water purification: Transport mechanisms and performance

Z Qiu, J Chen, J Zeng, R Dai, Z Wang - Water Research, 2023 - Elsevier
While thin-film composite (TFC) polyamide (PA) membranes are advanced for removing
salts and trace organic contaminants (TrOCs) from water, TFC PA membranes encounter a …

Novel CoS2/MoS2@ Zeolite with excellent adsorption and photocatalytic performance for tetracycline removal in simulated wastewater

J Liu, H Lin, Y He, Y Dong… - Journal of Cleaner …, 2020 - Elsevier
Due to the mass production and the use of antibiotic drugs, the pollution of antibiotics in the
environment is aggravated. Molybdenum sulfide (MoS 2), a kind of photocatalyst, can …

Fabrication and evaluation of effective zeolite membranes for water desalination

Y Wang, H Rong, L Sun, P Zhang, Y Yang, L Jiang… - Desalination, 2021 - Elsevier
Three dense and crack-free membranes of MFI, LTA and AEI typed zeolites were fabricated
respectively on porous stainless-steel nets using the seeded growth method. Experiments in …

Molecular dynamics study on water and ions transport mechanism in nanometer channel of 13X zeolite

D Hou, G Qiao, P Wang - Chemical Engineering Journal, 2021 - Elsevier
Understanding the atomistic transport within nanoporous zeolite is essential in a broad field.
Herein, molecular dynamics was systematically utilized to elucidate the migration …

Dynamics of Guest Water Molecules in Pillared Mordenite Studied by 1H NMR Relaxation

MG Shelyapina, DY Nefedov, AO Antonenko… - Applied Magnetic …, 2023 - Springer
The dynamics of H2O molecules confined in mesopores of about 3.4 nm in size, formed by
amorphous SiO2 pillars separating 2D mordenite nanolayers, was probed by 1H nuclear …

Hydrogen Solubility in Confined Water

R Firuznia, A Jahanbakhsh, S Nazifi, H Ghasemi - Langmuir, 2024 - ACS Publications
Confined water has demonstrated distinct structural and dynamic properties compared to
bulk water. Although many studies have explored the water structure within simple …

On the spatial design of co-fed amines for selective dehydration of methyl lactate to acrylates

Y Pang, MA Ardagh, M Shetty, A Chatzidimitriou… - ACS …, 2021 - ACS Publications
Co-feeding an inert and site-selective chemical titrant provides desirable selectivity tuning
when titrant adsorption is favored over side reaction pathways on a solid acid catalyst. Here …

Influence of intracrystalline diffusion constraints enhanced by channel fluctuation on zeolite catalyst performance in isomerization and aromatization

Z Chen, W Zhao, H Zhang, J Ren, P He - Fuel, 2024 - Elsevier
In the realm of zeolite catalysis, understanding the role of intracrystalline diffusion
constraints is of paramount significance, especially in the context of isomerization and …

Visualizing water seepage dynamics in grotto relics via atom-based representative model

J Wang - Heritage Science, 2023 - Springer
Water seepage in grotto relics, ie, Yungang Grottoes, Dazu Rock Carvings, is a key issue to
accurately describe the deterioration and weathering process of grotto rock mass …