Simulation of micelle of zwitterionic DSB in NaCl aqueous solution

Autor:	Sun Wenqi, Li Ganzuo, Zhang Gao-Yong, Xu Jun
Rok vydání:	2007
Předmět:	Aqueous solution Sodium Inorganic chemistry General Physics and Astronomy chemistry.chemical_element Micelle Ion chemistry.chemical_compound Dipole Molecular dynamics Monomer chemistry Polar Physical chemistry Physical and Theoretical Chemistry
Zdroj:	Chemical Physics Letters. 438:326-329
ISSN:	0009-2614
DOI:	10.1016/j.cplett.2007.03.003
Popis:	The molecular dynamics simulation of the spontaneous formation of zwitterionic micelle of 3-(N,N-dimethyldodecylammonio)-2-hydroxy-propanesulfonate (abbreviated as DSB) in sodium chloride (NaCl) solution has been performed based on a coarse grained model. By evaluating the properties of DSB micellar structure, we can obtain the results that the polar groups in the DSB monomers are unfolding on the surface of the micelle forming a dipolar layer, some ions of NaCl have been restricted inside the dipolar layer and the concentration of NaCl ions in the dipolar region is greater than that in the bulk.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::93d1900fcfdaf5058ab30f3c2183f10e https://doi.org/10.1016/j.cplett.2007.03.003 Zobrazit plný text záznamu Full Text from ScienceDirect