نوع مقاله : مقاله پژوهشی
گروه شیمی فیزیک، دانشکده شیمی، پردیس علوم، دانشگاه تهران، تهران
عنوان مقاله [English]
Ionic liquids which are known as green solvents have specific physical and chemical properties and include great potential applications in various industries. In other hand, carbon nanotubes due to their outstanding mechanical, thermal and electronic properties have been extensively studied during the last two decades. It has been indicated that the systems containing ionic liquids and other components such as nanostructures and carbon nanotubes have properties which have reduplicated the importance of ionic liquids and carbon nanotubes. In the present paper, recent investigations on the systems containing various ionic liquids and carbon nanotubes by molecular dynamics simulation is reviewed and simulation details and computational methods for performing molecular dynamics simulation of some systems are presented. Using molecular dynamics simulation, it can be demonstrated how ionic liquids disperse the carbon nanotubes. Also, molecular dynamics simulation can be used for investigating the structural and dynamical behaviors of confined ionic liquids inside the carbon nanotubes.