Nicotine Ad sorption Capacitie s of Single-Walled Carbon N anotubes: a Ste ered Molecular Dyn amics Stu dy

Nicotine is an alk aloid present in several plants such as eggplant, tomato and green pepper, but its m ajor source is tobacco, used for cigarette m anufacture [ ۱]. Normally, one cigarette contains ۰.۷mg of nicotine.In proper nome nclature, n icotine is ۳-(۱-Met hyl-۲- pyrrolidinyl)pyridine. Figure ۱ shows th e chemical structure of nicotine m olecule.Nico tine's struct ure was ded uced by Pinner.The n egative effects of nicotine on public human health include heart disease, cancer and respiratory disorders and even it was implied that ni cotine might be geotaxis. Therefore, the smokin g pollution is one of the major problems in the world [۲-۳]. In the past years, great efforts have been made in the development of adsorption of nicoti ne by proteins and nano-structures in order to remove it. It is an effectiv e and conv enient way t o add some additives su ch as active carbon, zeolite, in the filter tips. Carbon nano tubes (CNT), a fascina ting new material, are attracting more and more atte ntion since their discov ery. The studies of c arbon nanot ubes used as absorbe nts have al so been rep orted experimentally [۴]. In this research, w e try to illustrate the dynamic behavior of ni cotine adsorp tion outside of single-w alled carbon nanotubes (SWCNTs ) using a powerful method of molecular dynamics (MD).

کلیدواژه ها:

Nicotine ، Carbon Nanotube ، Molecular Dynamic ، Phy sisorption