期刊
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
卷 454, 期 -, 页码 104-112出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.colsurfa.2014.04.009
关键词
Polyelectrolyte-surfactant complex; Multilayer structure; Hydrophobic interaction; Hydrogen bond; Molecular dynamic simulation
资金
- National Science Foundation [21043008, 21173128]
- HESTP Project of Shandong Province [J13LD01]
- National Science Foundation of Shandong Province [ZR2012BM004]
The adsorption of polyelectrolyte surfactant mixture of sodium poly(acrylic acid) (NaPAA) and dodecyl trimethyl ammonium bromide (C(12)TAB) at the air/water interface was studied using molecular dynamics simulation. In our simulations, the transition from monolayer adsorption of a polymer surfactant complex to a multilayer structure was observed with increasing surfactant concentration at the interface. For the multilayer structure, the two polyelectrolyte chains were linked by two layers of surfactant molecules which adopted a tail-to-tail arrangement. The results indicated that the electrostatic interaction was the main driving force for the binding of surfactants to the polyelectrolyte, meanwhile the hydrophobic interaction between surfactant tails induced a layer-by-layer packing arrangement at high surfactant concentration. The dynamic properties of inorganic ions implied that the complex of polyelectrolyte and surfactant was an ion-exchange process. Our conclusions are in accordance with experimental results on polyelectrolytes and ionic surfactants. (C) 2014 Elsevier B.V. All rights reserved.
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