Water transport in reverse osmosis membranes is governed by pore flow, not a solution-diffusion mechanism
We performed nonequilibrium molecular dynamics (NEMD) simulations and solvent
permeation experiments to unravel the mechanism of water transport in reverse osmosis …
permeation experiments to unravel the mechanism of water transport in reverse osmosis …
Molecular dynamics simulation of polyamide-based materials–A review
S Krishna, I Sreedhar, CM Patel - Computational Materials Science, 2021 - Elsevier
A thorough report is provided in this review on Molecular Dynamics (MD) simulations of
polyamide-based materials. MD simulations have been carried out using polyamides …
polyamide-based materials. MD simulations have been carried out using polyamides …
Unlocking the potential of polymeric desalination membranes by understanding molecular-level interactions and transport mechanisms
Polyamide reverse osmosis (PA-RO) membranes achieve remarkably high water
permeability and salt rejection, making them a key technology for addressing water …
permeability and salt rejection, making them a key technology for addressing water …
Molecular simulations to elucidate transport phenomena in polymeric membranes
Despite decades of dominance in separation technology, progress in the design and
development of high-performance polymer-based membranes has been incremental …
development of high-performance polymer-based membranes has been incremental …
Fouling and Retention Mechanisms of Selected Cationic and Anionic Dyes in a Ti3C2Tx MXene-Ultrafiltration Hybrid System
Ti3C2T x MXenes, a very new family of nanostructured material, were applied in
combination with an ultrafiltration (UF) membrane (MXene-UF) for removal of the selected …
combination with an ultrafiltration (UF) membrane (MXene-UF) for removal of the selected …
Multimodal confined water dynamics in reverse osmosis polyamide membranes
While polyamide (PA) membranes are widespread in water purification and desalination by
reverse osmosis, a molecular-level understanding of the dynamics of both confined water …
reverse osmosis, a molecular-level understanding of the dynamics of both confined water …
Pressure-driven Li+/Mg2+ selective permeation through size-sieving nanochannels: the role of the second hydration shell
Non-equilibrium molecular dynamics simulations were carried out to investigate the size-
sieving mechanism of the permselective transport of Li+ and Mg 2+ through one …
sieving mechanism of the permselective transport of Li+ and Mg 2+ through one …
Chemically functionalized polyamide thin film composite membranes: The art of chemistry
Polyamide thin film composite membranes have been conventionally used for reverse
osmosis (RO) and forward osmosis (FO) processes. Despite their high efficiency and …
osmosis (RO) and forward osmosis (FO) processes. Despite their high efficiency and …
Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution
Hydrogen bonding interactions play an important role in many chemical and physical
processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H2O …
processes occurring in bulk liquids and at interfaces. In this study, hydrous species (H2O …
Poly (ether-block amide) thin-film membranes containing functionalized MIL-101 MOFs for efficient separation of CO2/CH4
SK Salestan, K Pirzadeh, A Rahimpour… - Journal of Environmental …, 2021 - Elsevier
In this study, a post-synthesis modification method was used to graft tetraethylenepentamine
(TEPA) on MIL-101 (Cr) metal organic framework (MOF). The post-modified amine grafted …
(TEPA) on MIL-101 (Cr) metal organic framework (MOF). The post-modified amine grafted …