Water in nanopores and biological channels: a molecular simulation perspective

CI Lynch, S Rao, MSP Sansom - Chemical reviews, 2020 - ACS Publications
This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

Critical knowledge gaps in mass transport through single-digit nanopores: A review and perspective

S Faucher, N Aluru, MZ Bazant… - The Journal of …, 2019 - ACS Publications
Not all nanopores are created equal. By definition, nanopores have characteristic diameters
or conduit widths between∼ 1 and 100 nm. However, the narrowest of such pores, perhaps …

Unveiling glutamic acid-functionalized LDHs: understanding the Cr (vi) removal mechanism from microscopic and macroscopic view points

X Hong, M Shi, Z Ding, C Ding, P Du, M Xia… - Physical Chemistry …, 2023 - pubs.rsc.org
Interlayer functionalization modulation is essential for modifying LDHs and improving their
selectivity and adsorption capacity for target pollutants. In this work, Glu@ NiFe-LDH was …

Enhanced ion rejection in carbon nanotubes by a lateral electric field

X Zhang, S Li, J Su - Langmuir, 2022 - ACS Publications
Reverse osmosis membranes hold great promise for dealing with global water scarcity.
However, the trade-off between ion selectivity and water permeability is a serious obstacle to …

Effect of nanotube diameter on the transport of water molecules in electric fields

X Zhang, J Su - Journal of Molecular Liquids, 2021 - Elsevier
Electric fields control the water dipole orientation and result in a rotation-translation coupling
transport of water through narrow carbon nanotubes (CNTs); however, it is not clear if this …

Selectivity of ion transport in narrow carbon nanotubes depends on the driving force due to drag or drive nature of their active hydration shells

H Gao, J Wang, Y Liu, Y Xie, P Král, R Lu - The Journal of Chemical …, 2021 - pubs.aip.org
Molecular dynamics simulations have revealed the important roles of hydration shells of ions
transported through ultrathin carbon nanotubes (CNTs). In particular, ions driven by electric …

Structures of water molecules in carbon nanotubes under electric fields

W Winarto, D Takaiwa, E Yamamoto… - The Journal of chemical …, 2015 - pubs.aip.org
Carbon nanotubes (CNTs) are promising for water transport through membranes and for use
as nano-pumps. The development of CNT-based nanofluidic devices, however, requires a …

Separation of water–ethanol solutions with carbon nanotubes and electric fields

D Takaiwa, E Yamamoto, K Yasuoka - Physical Chemistry Chemical …, 2016 - pubs.rsc.org
Bioethanol has been used as an alternative energy source for transportation vehicles to
reduce the use of fossil fuels. The separation of water–ethanol solutions from fermentation …

Water molecules in a carbon nanotube under an applied electric field at various temperatures and pressures

Winarto, E Yamamoto, K Yasuoka - Water, 2017 - mdpi.com
Water confined in carbon nanotubes (CNTs) under the influence of an electric field exhibits
behavior different to that of bulk water. Such behavior is fascinating from a nanoscience …

Water diffusion in carbon nanotubes under directional electric frields: Coupling between mobility and hydrogen bonding

DN de Freitas, BHS Mendonça, MH Köhler… - Chemical Physics, 2020 - Elsevier
Molecular Dynamics simulations of water confined in carbon nanotubes subjected to
external electric fields show that water mobility strongly depends on the confining geometry …