Molecular Dyna mics Simulation of S ome Organic Compounds Solu bilization into the Nanometric Core of CTAB micelle

Today, normal m icelles widely are use d in green chemistry to dissolve insoluble organic comp ounds in water and to d o organic reactions in aqueous media. In order to elucidate the nature of micellar effects on the properties of solubilized molecules, to understand the re action mecha nism in mi cellar system s and to design the mi cellar syste ms, it is essential to know the solubilization sites of molecules inside the micelle’s nanometric core[۱]. The objective o f this work is determination of the location of so me solubilized ring compounds into cetyltrimethylam monium bromide (CTAB) micelle and their affects on s hape and size of micelle by Molec ular Dynamic (MD) Simulations.

کلیدواژه ها:

Nanometric core ، CTAB ، Mic elle ، Molecular Dynami cs.