Emerging desalination technologies: Current status, challenges and future trends

FE Ahmed, A Khalil, N Hilal - Desalination, 2021 - Elsevier
Emerging technologies present many new possibilities for diversifying the desalination
industry, which is currently dominated by thermal desalination, and reverse osmosis. In this …

Carbon nanodots from an in silico perspective

F Mocci, L de Villiers Engelbrecht, C Olla… - Chemical …, 2022 - ACS Publications
Carbon nanodots (CNDs) are the latest and most shining rising stars among
photoluminescent (PL) nanomaterials. These carbon-based surface-passivated …

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 …

Molecular dynamics simulation for membrane separation and porous materials: A current state of art review

A Mollahosseini, A Abdelrasoul - Journal of Molecular Graphics and …, 2021 - Elsevier
Computational frameworks have been under specific attention within the last two decades.
Molecular Dynamics (MD) simulations, identical to the other computational approaches, try …

Molecular-level insights into the improvement mechanism of the bonding agent MAPO on the mechanical properties of the AP/HTPB-TDI cross-linked system

J Zhang, P Luo - Industrial & Engineering Chemistry Research, 2023 - ACS Publications
Reliable mechanical properties are necessary to ensure safety during practical application
of solid propellants. In this work, molecular dynamics (MD) simulation is conducted to …

Desalination performance investigation of TpPa-1 COF and MIL-47 (V) MOF bilayer membranes using molecular dynamics simulation

M Shahbabaei, R Elawadly, JM Khodadadi, QH Tu - Desalination, 2024 - Elsevier
The efficiency of reverse osmosis (RO) desalination heavily depends on the advancement of
innovative membrane materials. In this study, we utilized molecular dynamics simulations to …

Effect of graphene oxide quantum dots on the interfacial polymerization of a thin-film nanocomposite forward osmosis membrane: An experimental and molecular …

N Akther, Y Kawabata, S Lim, T Yoshioka… - Journal of Membrane …, 2021 - Elsevier
We report an ultra-low loading of graphene oxide quantum dots (GQDs) into the polyamide
(PA) layer of an outer-selective hollow fiber (OSHF) thin-film composite (TFC) membrane …

Nanocomposite membranes for liquid and gas separations from the perspective of nanostructure dimensions

PS Goh, KC Wong, AF Ismail - Membranes, 2020 - mdpi.com
One of the critical aspects in the design of nanocomposite membrane is the selection of a
well-matched pair of nanomaterials and a polymer matrix that suits their intended …

Engineering of macroscale graphene oxide quantum dots skeleton membrane via electrostatic spraying method

H Liu, S Cheng, Y Qin, Y Sun, Q Huang… - Journal of Membrane …, 2022 - Elsevier
In order to construct an efficient separation channel of graphene oxide quantum dots
(GOQDs) membrane, a novel macroscale GOQDs skeleton membrane with the …

Carbon dot engineered membranes for separation–a comprehensive review and current challenges

S Parani, E Choi, OS Oluwafemi… - Journal of Materials …, 2023 - pubs.rsc.org
Carbon dots (CDs) are a rapidly emerging class of nanomaterials with remarkable
physicochemical properties such as small size, high surface area-to-volume ratio, tunable …