Diameter effect on the adsorption of aqueous cetyltrimethylammonium brom ide surfactant on carbon nanotube: A molecular dynamics simulations

Carbon nanotubes (CNTs) are currently the focus of intensemultidisciplinary research o wing to their unique ph ysical and chemical properties and their various potential applications [۱].However, an obstacle for the usage of CNTs is t heir affinity for one an other, making it difficu lt to disperse them as individual tubes in aq ueous solution. Dispersion of CNTs has been f acilitated by covalently attaching polar or charged groups to CNT surfaces. How ever, this c an alter the inherent pro perties of n anotube. T herefore, attention has turned towar d the noncovalent adsorption of surfactants and polymers [ ۲]. Among various su rfactants, CTAB is commonly used to stabilize aqueous CN T dispersions. In this study, the adsorption a nd the self-assembly of CTAB on (۵, ۷) and ( ۱۰, ۱۴) CNT s are investigated via all-atom MD simulations.

کلیدواژه ها:

Carbon nanotube ، Cetyl trimethylammonium bromide (CT AB) ، Mol ecular dynam ics simulation.