Catalyst-free selective oxidation of C(sp3)-H bonds in toluene on water
The anisotropic water interfaces provide an environment to drive various chemical reactions
not seen in bulk solutions. However, catalytic reactions by the aqueous interfaces are still in …
not seen in bulk solutions. However, catalytic reactions by the aqueous interfaces are still in …
[HTML][HTML] Effects of polar fractions on interfacial and bulk properties at the oil/carbonated aqueous solution interface: Insight from molecular dynamics simulation
This study utilized molecular dynamics simulations to understand the liquid/liquid interfaces
in a natural environment involving carbon dioxide and various acidic components. The aim …
in a natural environment involving carbon dioxide and various acidic components. The aim …
Second inflection point of supercooled water surface tension induced by hydrogen bonds: A molecular-dynamics study
Surface tension of supercooled water is a fundamental property in various scientific
processes. In this study, we perform molecular dynamics simulations with the TIP4P-2005 …
processes. In this study, we perform molecular dynamics simulations with the TIP4P-2005 …
Salinity-Driven Structural and Viscosity Modulation of Confined Polar Oil Phases by Carbonated Brine Films: Novel Insights from Molecular Dynamics
The structural and dynamic properties of fluids under confinement in a porous medium differ
from their bulk properties. This study delves into the surface structuring and hydrodynamic …
from their bulk properties. This study delves into the surface structuring and hydrodynamic …
Wettability behavior of DTMS modified SiO2: Experimental and molecular dynamics study
CX Wang, N Wang, XS Li, XF Zhang - Journal of Molecular Graphics and …, 2024 - Elsevier
In this research, the wetting behavior of SiO 2 modified with dodecyltrimethoxysilane (DTMS)
was explored using both experimental and molecular dynamics (MD) simulation …
was explored using both experimental and molecular dynamics (MD) simulation …