May 29, 2024
Farkhondeh Mozaffari

Farkhondeh Mozaffari

Academic Rank: Associate professor
Degree: Ph.D in -
Phone: -
Faculty: Faculty of Nano and Biotechnology


Molecular Dynamics Simulation of Ionic Liquid 1-Ethyl-3-Methyl Imidazolium Methyl Sulfate
Type Presentation
Density, Diffusion coefficients, Hydrogen bonding, Modeling and simulation
Researchers Hamideh Basouli (First researcher) , Farkhondeh Mozaffari (Second researcher)


Molecular dynamics simulations are employed on ionic liquid 1-ethyl-3-methylimidazolium methyl sulfate. The density, diffusion coefficient, radial distribution function and hydrogen bonding are studied that are in good agreement with experiment. Our observations indicated that cation diffusion coefficient is more than that for anion. The hydrogen bond value for CH group between two nitrogens is more than two others CH groups in imidazolium ring.