Utility of Brownian dynamics simulations in chemistry and biology: A comprehensive review
KM ElSawy - Biochimica et Biophysica Acta (BBA)-General Subjects, 2024 - Elsevier
Brownian dynamics (BD) simulations, a powerful computer simulation tool that has gained
significant attraction in investigating the intricate dynamics of chemical and biological …
significant attraction in investigating the intricate dynamics of chemical and biological …
Kinetic and chemorheological evaluation on the crosslinking process of peroxide-initiated low-density polyethylene
Peroxide-initiated low-density polyethylene (PLPE) has been extensively used as insulating
materials for high-voltage cables, while the lack of comprehensive knowledge on …
materials for high-voltage cables, while the lack of comprehensive knowledge on …
Drag on nanoparticles in a liquid: From slip to stick boundary conditions
W Liu, J Wang, G **a, Z Li - Nanoscale, 2024 - pubs.rsc.org
Stokes' law with stick boundary conditions has been widely accepted for the transport of
microscale particles in a liquid. For nanoparticles, however, the hydrodynamic boundary …
microscale particles in a liquid. For nanoparticles, however, the hydrodynamic boundary …
[HTML][HTML] Kinetic and thermodynamic investigation on diffusion-limited crosslinking reaction behaviors of peroxide-induced low-density polyethylene
Crosslinking reaction behaviors can determine the network morphology and further
influence macroscopic properties of polymers, while the current comprehension about …
influence macroscopic properties of polymers, while the current comprehension about …
Predicting the Geometry of Core–Shell Structures: How a Shape Changes with Constant Added Thickness
CD Gale, NE Levinger - The Journal of Physical Chemistry B, 2024 - ACS Publications
The core–shell assembly motif is ubiquitous in chemistry. While the most obvious examples
are core/shell-type nanoparticles, many other examples exist. The shape of the core/shell …
are core/shell-type nanoparticles, many other examples exist. The shape of the core/shell …
Elucidating the Hydrotropic Mechanism of the Antagonistic Salt PPh4Cl
PPh4Cl is an antagonistic salt that recently showed promise as a hydrotropic agent. Here,
we give mechanistic insights into the PPh4Cl-assisted solubility of a dye molecule using …
we give mechanistic insights into the PPh4Cl-assisted solubility of a dye molecule using …
[HTML][HTML] Molecular hydrodynamic theory of the velocity autocorrelation function
The velocity autocorrelation function (VACF) encapsulates extensive information about a
fluid's molecular-structural and hydrodynamic properties. We address the following …
fluid's molecular-structural and hydrodynamic properties. We address the following …
Effect of frequency-dependent shear and volume viscosities on molecular friction in liquids
The relation between the frequency-dependent friction of a molecule in a liquid and the
hydrodynamic properties of the liquid is fundamental for molecular dynamics. We investigate …
hydrodynamic properties of the liquid is fundamental for molecular dynamics. We investigate …
Effect of frequency-dependent viscosity on molecular friction in liquids
The relation between the frequency-dependent friction of a molecule in a liquid and the
hydrodynamic properties of the liquid is fundamental for molecular dynamics. We investigate …
hydrodynamic properties of the liquid is fundamental for molecular dynamics. We investigate …
Long-time persistence of hydrodynamic memory boosts microparticle transport
In a viscous fluid, the past motion of an accelerating particle is retained as an imprint on the
vorticity field, which decays slowly as t− 3/2. At low Reynolds number, the Basset …
vorticity field, which decays slowly as t− 3/2. At low Reynolds number, the Basset …