Size dependence of solute's translational jump-diffusion in solvent: Relationship between trapping and jump-diffusion
S Dueby, S Daschakraborty - Chemical Physics Letters, 2022 - Elsevier
Previous studies, explaining the breakdown of Stokes-Einstein relation using the
translational jump-diffusion (TJD) approach, hinted an important relationship between the …
translational jump-diffusion (TJD) approach, hinted an important relationship between the …
Relation between the diffusivity, viscosity, and ionic radius of LiCl in water, methanol, and ethylene glycol: a molecular dynamics simulation
P Kumar, SR Varanasi… - The Journal of Physical …, 2013 - ACS Publications
A molecular dynamics (MD) investigation of LiCl in water, methanol, and ethylene glycol
(EG) at 298 K is reported. Several structural and dynamical properties of the ions as well as …
(EG) at 298 K is reported. Several structural and dynamical properties of the ions as well as …
Study on the structure of aqueous potassium chloride solutions using the X-ray diffraction and Raman spectroscopy methods
F Li, J Yuan, D Li, S Li, Z Han - Journal of Molecular Structure, 2015 - Elsevier
Many researchers have studied potassium chloride aqueous solutions, whereas, for the
tests were carried out at different conditions, the results with diverse concentrations were not …
tests were carried out at different conditions, the results with diverse concentrations were not …
Thermodynamic properties and diffusion of water+ methane binary mixtures
Thermodynamic and diffusion properties of water+ methane mixtures in a single liquid
phase are studied using NVT molecular dynamics. An extensive comparison is reported for …
phase are studied using NVT molecular dynamics. An extensive comparison is reported for …
Effect of divalent ion coordination on ion diffusion in organic liquids
MA Orekhov - Journal of Molecular Liquids, 2021 - Elsevier
Theoretical description of ion diffusion in organic liquids is challenging due to the solvation
effects and complexity of organic molecules. This article presents a universal model for the …
effects and complexity of organic molecules. This article presents a universal model for the …
Molecular dynamics simulation for self-diffusion coefficients of ginger bioactive compounds in subcritical water with and without ethanol
NI Anisa, NA Morad, Y Iwai, MHS Ismail - Fluid Phase Equilibria, 2016 - Elsevier
Molecular dynamics simulation was used to calculate the self-diffusion coefficients of ginger
bioactive compounds (6-gingerol and 6-shogaol) in subcritical water with the presence of …
bioactive compounds (6-gingerol and 6-shogaol) in subcritical water with the presence of …
Single particle force distributions in simple fluids
G Rickayzen, AC Brańka, S Pieprzyk… - The Journal of Chemical …, 2012 - pubs.aip.org
Single particle force distributions in simple fluids | The Journal of Chemical Physics | AIP
Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt Text Close Publishers AIP …
Publishing Skip to Main Content Umbrella Alt Text Umbrella Alt Text Close Publishers AIP …
[PDF][PDF] Molecular dynamics simulation of water and aqueous solutions
I Shvab - 2014 - researchbank.swinburne.edu.au
The objectives of this work is to use molecular dynamic simulation to systematically
investigate all basic properties of water and aqueous solutions of neon, argon, krypton …
investigate all basic properties of water and aqueous solutions of neon, argon, krypton …
[引用][C] Molecular Dynamics Simulation for Self-diffusion
NIANA Morad, YI Mohd - methodology, 2013