Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights
Sign Up to like & getrecommendations! Published in 2021 at "AIChE Journal"
DOI: 10.1002/aic.17447
Abstract: Funding information Institute for Materials Research at the Ohio State University, Grant/Award Number: GR122429; Ministry of Education in Taiwan, Grant/Award Number: NTU-110VV009 Abstract Technologies based on water adsorption such as water harvesting from air have… read more here.
Keywords: best practices; monte carlo; water; porous materials ... See more keywords
Divide and Conquer: A Novel Dual-Layered Hydrogel for Atmospheric Moisture Harvesting.
Sign Up to like & getrecommendations! Published in 2023 at "ChemSusChem"
DOI: 10.1002/cssc.202300137
Abstract: Atmospheric water harvesting (AWH) has been recognized a next-generation technology to alleviate water shortages in arid areas. However, the current AWH materials suffer from insufficient water adsorption capacity and high water retention, which hinder the… read more here.
Keywords: water adsorption; layered hydrogel; dual layered; water ... See more keywords
Mechanistic pathway of water adsorption to impact on the nonlinear elasticity of single-crystalline ZnO NWs
Sign Up to like & getrecommendations! Published in 2020 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2020.110155
Abstract: Abstract Surface modification via adsorbates is significant for property prediction in nanostructures where surface effect is dominant. This is especially vital for zinc oxide (ZnO) nanowires (NWs) which has no native passivation layer. As water… read more here.
Keywords: adsorption impact; water; surface; zno ... See more keywords
Water adsorption isotherms on soil external particle surface by molecular simulation
Sign Up to like & getrecommendations! Published in 2021 at "Computers and Geotechnics"
DOI: 10.1016/j.compgeo.2021.104432
Abstract: Abstract Water adsorption isotherm describes soils’ ability in retaining water under given relative humidity and isothermal conditions, and is frequently utilized to characterize soils’ engineering properties. Fundamentally, the water adsorption isotherm on soil external particle… read more here.
Keywords: adsorption; adsorption isotherms; water; surface ... See more keywords
Nanoscale rock mechanical property changes in heterogeneous coal after water adsorption
Sign Up to like & getrecommendations! Published in 2018 at "Fuel"
DOI: 10.1016/j.fuel.2018.01.006
Abstract: Abstract Rock mechanical properties are of key importance in coal mining exploration, coal bed methane production and CO2 storage in deep unmineable coal seams; accurate data is required so that geohazards (e.g. layer collapse or… read more here.
Keywords: coal; rock mechanical; mechanical properties; water adsorption ... See more keywords
Kinetic analysis on water adsorption of thermally upgraded lignite
Sign Up to like & getrecommendations! Published in 2021 at "Fuel Processing Technology"
DOI: 10.1016/j.fuproc.2020.106603
Abstract: Abstract An in-situ water adsorption analyzer was designed and set up for obtaining water dynamic adsorption process of thermally upgraded lignite under relative humidity (RH) of 55%–85% at 20 °C and 30 °C. Four upgraded samples with… read more here.
Keywords: water; thermally upgraded; upgraded lignite; adsorption ... See more keywords
Relation of water adsorption capacities of zeolites with their structural properties
Sign Up to like & getrecommendations! Published in 2018 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2017.12.031
Abstract: Abstract An investigation was carried out to determine the extent of relations between various structural properties of zeolite frameworks and their experimental water adsorption capacities. For this aim, average water capacity values were determined for… read more here.
Keywords: adsorption; zeolite frameworks; structural properties; water ... See more keywords
2D slab models of TiO2 nanotubes for simulation of water adsorption: Validation over a diameter range
Sign Up to like & getrecommendations! Published in 2020 at "Results in physics"
DOI: 10.1016/j.rinp.2020.103527
Abstract: Abstract Currently a lot of attention is paid to 1D nanomaterials due to their advantages in comparison to bulk materials. They offer broad possibilities of application, including photocatalytic water splitting. Simulations of water adsorption on… read more here.
Keywords: slab models; water adsorption; water; diameter range ... See more keywords
Effects of water adsorption on properties of electron-beam HfO2/SiO2 high-reflection coatings
Sign Up to like & getrecommendations! Published in 2020 at "Thin Solid Films"
DOI: 10.1016/j.tsf.2020.137826
Abstract: Abstract The moisture-induced instability of electron-beam (e-beam) coating can even result in the performance instability of a large laser system. A dense plasma-ion-assisted-deposition SiO2 capping layer was employed to isolate the top surface of the… read more here.
Keywords: water; beam; electron beam; instability ... See more keywords
Article (Special Issue of the International Symposium on Single-Atom Catalysis (ISSAC-2016))Investigation of water adsorption and dissociation on Au1/CeO2 single-atom catalysts using density functional theory
Sign Up to like & getrecommendations! Published in 2017 at "Chinese Journal of Catalysis"
DOI: 10.1016/s1872-2067(17)62829-8
Abstract: We examined the water adsorption and dissociation on ceria surfaces as well as ceria-supported Au single-atom catalysts using density functional theory calculations. Molecular and dissociative water were observed to coexist on clean CeO2 and reduced… read more here.
Keywords: single atom; water; ceo2; water adsorption ... See more keywords
Water Adsorption in Soft and Heterogeneous Nanopores.
Sign Up to like & getrecommendations! Published in 2020 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.0c00215
Abstract: ConspectusLiquids under confinement differ in behavior from their bulk counterparts and can acquire properties that are specific to the confined phase and linked to the nature and structure of the host matrix. While confined liquid… read more here.
Keywords: adsorption; water; flexibility; adsorption soft ... See more keywords