[HTML][HTML] Molecular dynamics simulation of Pt@ Au nanoalloy in various solvents: Investigation of solvation, aggregation, and possible coalescence
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 …
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
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 …
increase in the usage of fossil fuels and anthropogenic activities. One of the viable solutions …
Highly-selective MOF-303 membrane for alcohol dehydration
Metal-organic frameworks (MOFs) are an emerging class of crystalline microporous
materials, which have drawn considerable attention for separation applications. While a …
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
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 …
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
Incorporating molecular amines as mobile carriers in facilitated transport membranes (FTMs)
has been demonstrated to significantly enhance the CO2 permeance and CO2/N2 selectivity …
has been demonstrated to significantly enhance the CO2 permeance and CO2/N2 selectivity …
NaP1 zeolite membranes with high selectivity for water-alcohol pervaporation
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 …
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
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 …
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 …
global temperature. One of the viable options is to employ renewable energy sources such …
Vapor-phase strategy to pillaring of two-dimensional zeolite
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 …
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 …
dehydration properties of organosilica membranes modified by atmospheric-pressure …