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 …

We performed nonequilibrium molecular dynamics (NEMD) simulations and solvent
permeation experiments to unravel the mechanism of water transport in reverse osmosis …

Polyamide reverse osmosis (PA-RO) membranes achieve remarkably high water
permeability and salt rejection, making them a key technology for addressing water …

Despite decades of dominance in separation technology, progress in the design and
development of high-performance polymer-based membranes has been incremental …

The polyamide (PA) nanofiltration (NF) membrane has the potential to remove endocrine-
disrupting compounds (EDCs) from water and wastewater to prevent risks to both the …

The need to simplify fabrication processes and reduce costs for high-performance humidity
sensors is increasingly vital, especially in fields such as healthcare and agriculture. This …

We employed non-equilibrium molecular dynamics simulations and theoretical predictions
to elucidate organic solvent and water transport mechanisms in dense polymer 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 …

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 …

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 …