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 …
Computational frameworks have been under specific attention within the last two decades. Molecular Dynamics (MD) simulations, identical to the other computational approaches, try …
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 …
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 …
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 …
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 …
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 dots (CDs) are a rapidly emerging class of nanomaterials with remarkable physicochemical properties such as small size, high surface area-to-volume ratio, tunable …