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Molecular Dynamics Simulation of Effect of Salt on the Compromise of Hydrophilic and Hydrophobic Interactions in Sodium Dodecyl Sulfate Micelle Solutions
Gao Jian1; Ren Ying1,2; Ge Wei1; Ge, W
2009-08-01
Source PublicationCHINESE JOURNAL OF CHEMICAL ENGINEERING
ISSN1004-9541
Volume17Issue:4Pages:654-660
AbstractThe presence of salt has a profound effect on the size, shape and structure of sodium dodecyl sulfate (SDS) micelles. There have been a great number of experiments on SDS micelles in the presence and absence of salt to study this complex problem. Unfortunately, it is not clear yet how electrolyte ions influence the structure of micelles. By describing the compromise between dominant mechanisms, a simplified atomic model of SDS in presence of salt has been developed and the molecular dynamics (MD) simulations of two series of systems with different concentrations of salt and charges of ion have been performed. Polydispersity of micelle size is founded at relatively high concentration of SDS and low charge of cation. Although the counter-ion pairs with head groups are formed, the transition of micelle shape is not observed because the charge of cation is not enough to neutralize the polar of micelle surface.
KeywordMolecular Dynamics Simulation Compromise Sodium Dodecyl Sulfate Salt Micelle
SubtypeArticle
WOS HeadingsScience & Technology ; Technology
Indexed BySCI
Language英语
WOS KeywordANGLE NEUTRON-SCATTERING ; AQUEOUS-SOLUTIONS ; SDS MICELLES ; AGGREGATION NUMBERS ; LIGHT-SCATTERING ; WATER ; SYSTEMS ; SIZE ; POLYDISPERSITY ; ELECTROLYTES
WOS Research AreaEngineering
WOS SubjectEngineering, Chemical
WOS IDWOS:000269784100018
Citation statistics
Cited Times:7[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/6615
Collection多相复杂系统国家重点实验室
Corresponding AuthorGe, W
Affiliation1.CAS, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China
Recommended Citation
GB/T 7714
Gao Jian,Ren Ying,Ge Wei,et al. Molecular Dynamics Simulation of Effect of Salt on the Compromise of Hydrophilic and Hydrophobic Interactions in Sodium Dodecyl Sulfate Micelle Solutions[J]. CHINESE JOURNAL OF CHEMICAL ENGINEERING,2009,17(4):654-660.
APA Gao Jian,Ren Ying,Ge Wei,&Ge, W.(2009).Molecular Dynamics Simulation of Effect of Salt on the Compromise of Hydrophilic and Hydrophobic Interactions in Sodium Dodecyl Sulfate Micelle Solutions.CHINESE JOURNAL OF CHEMICAL ENGINEERING,17(4),654-660.
MLA Gao Jian,et al."Molecular Dynamics Simulation of Effect of Salt on the Compromise of Hydrophilic and Hydrophobic Interactions in Sodium Dodecyl Sulfate Micelle Solutions".CHINESE JOURNAL OF CHEMICAL ENGINEERING 17.4(2009):654-660.
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