شماره ركورد كنفرانس
4865
عنوان مقاله
Analysis of the Spatial and Radial Distribution Functions of Ionic Liquids with Different Cations
پديدآورندگان
Hajiyana S sogolhajiyan@gmail.com , University of Isfahan, Isfahan , , Daneshvara A a.daneshvar88@yahoo.com , University of Isfahan, Isfahan , Moosavia M kkakoo45@gmail.com , University of Isfahan, Isfahan
تعداد صفحه
2
كليدواژه
Ionic liquid , Molecular dynamics simulation Spatial distribution function , Radial distribution function.
سال انتشار
1398
عنوان كنفرانس
بيست و دومين كنفرانس ملي شيمي فيزيك ايران
زبان مدرك
انگليسي
چكيده فارسي
The aim of this study is founding the probability of the presence of the anion around the most probable site of the cations of [DHEA][FeCl4] and [bmim][FeCl4] ionic liquids using molecular dynamics simulation. According to the RDF and SDF analysis, it is found that the anion-N interaction in [DHEA][FeCl4] and anion-imidazolium ring interactions in [bmim][FeCl4] are most probable. It can be due to the stronger electrostatic and - interactions in these sites.
كشور
ايران
لينک به اين مدرک