[HTML][HTML] Molecular dynamics simulation of Pt@ Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence

MN Jorabchi, M Abbaspour, EK Goharshadi… - Journal of Materials …, 2023 - Elsevier
In this study, a pair of core-shell Pt@ Au nanoalloy particles with 309 atoms was simulated in
various solvents, including water, benzene, ethanol, water+ benzene, and 1-butyl-1, 1, 1 …

Computational discovery of nanoporous materials for energy-and environment-related applications

EH Cho, Q Lyu, LC Lin - Molecular Simulation, 2019 - Taylor & Francis
Our society is currently facing critical energy and environment issues, due to the consistent
increase in the usage of fossil fuels and anthropogenic activities. One of the viable solutions …

Highly-selective MOF-303 membrane for alcohol dehydration

JY Lai, TY Wang, C Zou, JJ Chen, LC Lin… - Journal of Membrane …, 2022 - Elsevier
Metal-organic frameworks (MOFs) are an emerging class of crystalline microporous
materials, which have drawn considerable attention for separation applications. While a …

Rational design of reverse osmosis membranes for boron removal: A counter-intuitive relationship between boron rejection and pore size

Q Lyu, LC Lin - Separation and Purification Technology, 2024 - Elsevier
Owing to the toxicity of excess boron, develo** reverse osmosis membranes that are
capable of effectively removing boric acid, a boron specie commonly exists in seawater, is …

Computational evaluation of carriers in facilitated transport membranes for postcombustion carbon capture

X Deng, C Zou, Y Han, LC Lin… - The Journal of Physical …, 2020 - ACS Publications
Incorporating molecular amines as mobile carriers in facilitated transport membranes (FTMs)
has been demonstrated to significantly enhance the CO2 permeance and CO2/N2 selectivity …

NaP1 zeolite membranes with high selectivity for water-alcohol pervaporation

JC Guo, C Zou, CY Chiang, TA Chang, JJ Chen… - Journal of Membrane …, 2021 - Elsevier
Membrane pervaporation is an emerging technique for the separation of water from
alcohols, and zeolites with ordered ultramicropores (pore size< 0.7 nm) have shown …

Exploring the potential of defective UiO-66 as reverse osmosis membranes for desalination

Q Lyu, X Deng, S Hu, LC Lin… - The Journal of Physical …, 2019 - ACS Publications
Defects in metal–organic frameworks (MOFs) can play an important role in the development
of MOFs as promising reverse osmosis (RO) membranes for water desalination. By …

Pervaporation separation of isopropanol/water using zeolite nanosheets: a Molecular Simulation Study

MY Tsai, LC Lin - The Journal of Physical Chemistry B, 2024 - ACS Publications
Reducing greenhouse gas emissions plays a crucial role in slowing down the rise of the
global temperature. One of the viable options is to employ renewable energy sources such …

Vapor-phase strategy to pillaring of two-dimensional zeolite

L Wei, K Song, W Wu, S Holdren, G Zhu… - Journal of the …, 2019 - ACS Publications
Two-dimensional (2D) layered zeolites are new forms of 3D zeolite frameworks. They can be
pillared to form more open porous structures with increased access for reactants that are too …

Atmospheric-pressure plasma modification to control porous structure and affinity of organosilica membranes for pervaporation dehydration: Effect of plasma …

S Aoyama, H Nagasawa, M Kanezashi… - Separation and Purification …, 2023 - Elsevier
The effects of the plasma treatment time on the gas permeation and pervaporation
dehydration properties of organosilica membranes modified by atmospheric-pressure …