شماره ركورد كنفرانس :
4865
عنوان مقاله :
Molecular Dynamics Simulation of Ionic Liquid 1-n-Butyl-3-Methylimidazolium Methylsulfate in Contact with a Silica Surface
پديدآورندگان :
. Khaknejad Z zeynab.khaknejad@gmail.com , Persian Gulf University, , Mehdipour N n.mehdipour@pgu.ac.ir , Persian Gulf University, , Golmohammadi N ngolmohammadi@yahoo.com , Persian Gulf University,
كليدواژه :
Molecular Dynamics Simulation , Ionic Liquid , Silica
عنوان كنفرانس :
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
چكيده فارسي :
Molecular dynamics simulations are done to investigate the structure and dynamics of ionic liquid [Bmim][MeSO4] in contact with a silica surface and with vacuum. Alteration in IL structure and dynamics, compared to the bulk sample, at both interfaces are investigated in terms of IL layering, hydrogen bond formation, ion pairing, and electrical conductivity.
