Thermal Resistance for Au–Water and Ag–Water Interfaces: Molecular Dynamics Simulations
Sign Up to like & getrecommendations! Published in 2021 at "International Journal of Thermophysics"
DOI: 10.1007/s10765-021-02840-x
Abstract: Thermal Resistance for gold (Au)–water and silver (Ag)–water interfaces are calculated using a reversed non-equilibrium molecular dynamics simulation. Temperature and heat flow dependence of Interfacial thermal resistance (ITR) based on a solid–liquid–solid nano channel system… read more here.
Keywords: water; water interfaces; resistance water; molecular dynamics ... See more keywords
Arsenic behavior across soil-water interfaces in paddy soils: Coupling, decoupling and speciation.
Sign Up to like & getrecommendations! Published in 2020 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2020.128713
Abstract: The sharp redox gradient at soil-water interfaces (SWI) plays a key role in controlling arsenic (As) translocation and transformation in paddy soils. When Eh drops, As is released to porewater from solid iron (Fe) and… read more here.
Keywords: paddy soils; redox gradient; water interfaces; soil ... See more keywords
Detecting Interplay of Chirality, Water, and Interfaces for Elucidating Biological Functions.
Sign Up to like & getrecommendations! Published in 2023 at "Accounts of chemical research"
DOI: 10.1021/acs.accounts.3c00088
Abstract: ConspectusChemists have long been fascinated by chirality, water, and interfaces, making tremendous progress in each research area. However, the chemistry emerging from the interplay of chirality, water, and interfaces has been difficult to study due… read more here.
Keywords: chiral sfg; water; water interfaces; chirality water ... See more keywords
Oxide- and Silicate-Water Interfaces and Their Roles in Technology and the Environment.
Sign Up to like & getrecommendations! Published in 2023 at "Chemical reviews"
DOI: 10.1021/acs.chemrev.2c00130
Abstract: Interfacial reactions drive all elemental cycling on Earth and play pivotal roles in human activities such as agriculture, water purification, energy production and storage, environmental contaminant remediation, and nuclear waste repository management. The onset of… read more here.
Keywords: interfaces roles; water; oxide silicate; chemical ... See more keywords
Determination of Equilibrium Adsorbed Morphologies of Surfactants at Metal-Water Interfaces Using a Modified Umbrella Sampling-Based Methodology.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00078
Abstract: Surfactants adsorb to metal-water interfaces in various morphologies, including self-assembled monolayers (SAMs), cylindrical and spherical micelles, or hemimicelles. Current molecular simulation methods are unable to efficiently sample the formation of these morphologies because of the… read more here.
Keywords: modified umbrella; methodology; umbrella sampling; water ... See more keywords
Counterintuitive Oxidation of Alcohols at Air-Water Interfaces.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c13661
Abstract: This study shows that the oxidation of alcohols can rapidly occur at air-water interfaces. It was found that methanediols (HOCH2OH) orient at air-water interfaces with a H atom of the -CH2- group pointing toward the… read more here.
Keywords: air water; water; water interfaces; oxidation alcohols ... See more keywords
Adsorption at Nanoconfined Solid-Water Interfaces.
Sign Up to like & getrecommendations! Published in 2022 at "Annual review of physical chemistry"
DOI: 10.1146/annurev-physchem-083022-030802
Abstract: Reactions at solid-water interfaces play a foundational role in water treatment systems, catalysis, and chemical separations, and in predicting chemical fate and transport in the environment. Over the last century, experimental measurements and computational models… read more here.
Keywords: adsorption nanoconfined; water; chemistry; solid water ... See more keywords
Water at Interfaces: Its Behavior and Roles in Interfacial Phenomena
Sign Up to like & getrecommendations! Published in 2021 at "Chemistry Letters"
DOI: 10.1246/cl.210049
Abstract: Water at interfaces plays essential roles in many natural phenomena and engineering applications. However, the molecular behavior of interfacial water is still a matter of intense debate. Thus far,... read more here.
Keywords: interfacial phenomena; water; water interfaces; roles interfacial ... See more keywords