@article{paperid:1037314,
author = {Moosavi, Fatemeh and Gholizadeh, Mostafa},
title = {Magnetic effects on the solvent properties investigated by molecular dynamics simulation},
journal = {Journal of Magnetism and Magnetic Materials},
year = {2013},
volume = {354},
number = {1},
month = {December},
issn = {0304-8853},
pages = {239--247},
numpages = {8},
keywords = {This paper investigates how an external constant magnetic field in Z-direction affects the performance of a solvent. The molecular dynamics simulation comprised common inorganic and organic solvents including water; acetone; acetonitrile; toluene; and n-hexane at the ambient temperature and pressure. A static magnetic field applied in the simulation process is able to reduce the solvent mobility in the solution in order to enhance the solvent-solute reaction. Simulation results show that the diffusivity decreases because of increasing the effective interactions. Besides; magnetic field reduces the volume of the solvent and increases the strength of the hydrogen bonds by maximizing attractive electrostatic and vdW interactions caused by changes in the radial distribution function of the solvents. Hydrogen-bonding characteristics of solvents investigated by molecular dynamics simulations was evidence for the hydrogen bonding strength of O…H that is more efficient intermolecular hydrogen-bonding in comparison with N…H.},
}

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%0 Journal Article
%T Magnetic effects on the solvent properties investigated by molecular dynamics simulation
%A Moosavi, Fatemeh
%A Gholizadeh, Mostafa
%J Journal of Magnetism and Magnetic Materials
%@ 0304-8853
%D 2013

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