Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles

We studied dynamic scaling law for the early stage domain growth in the micelle aggregation process of dispersed surfactant molecules in water for zwitterionic dodecyldimethylamine oxide (DDAO) and cationic dodecyltrimethylammonium chloride (DTAC) based on all-atomistic molecular dynamics calculatio...

Full description

Saved in:
Bibliographic Details
Published inMolecular simulation Vol. 43; no. 13-16; pp. 1331 - 1337
Main Authors Fujimoto, Kazushi, Kubo, Yousuke, Kawada, Shinji, Yoshii, Noriyuki, Okazaki, Susumu
Format Journal Article
LanguageEnglish
Published Abingdon Taylor & Francis Ltd 01.01.2017
Subjects
Agglomeration
Cations
Diffusion rate
Micelles
Molecular dynamics
Scaling laws
Surfactants
Zwitterions
Online AccessGet full text

Cover

More Information
Summary:We studied dynamic scaling law for the early stage domain growth in the micelle aggregation process of dispersed surfactant molecules in water for zwitterionic dodecyldimethylamine oxide (DDAO) and cationic dodecyltrimethylammonium chloride (DTAC) based on all-atomistic molecular dynamics calculations. For both surfactants, the aggregation number N increases in proportion to tα[vprime], where t and α[vprime] are the simulation time and exponent of the dynamic scaling, respectively. When the aggregation is controlled by diffusion, it follows the well-known Lifshitz-Slyozov (LS) law giving the exponent α[vprime] = 1. The values of α[vprime] obtained for DDAO and DTAC are 0.6 and 0.3, respectively, indicating that the aggregation rate is suppressed compared with purely diffusion controlled LS process. The aggregation of DDAO and DTAC may be partly controlled by electrostatic interaction between the aggregates.
ISSN:0892-7022
1029-0435
DOI:10.1080/08927022.2017.1328557