Unveiling the Phase Behavior of CiEj non-ionic surfactants in water through Coarse-Grain Molecular Dynamics Simulations

Soft Matter ◽  
2021 ◽  
Author(s):  
Emanuel A. Crespo ◽  
Lourdes F. Vega ◽  
German Perez-Sanchez ◽  
Joao A. P. Coutinho
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Phase Behavior ◽  
Coarse Grain ◽  
Ionic Surfactants ◽  
Rich Phase ◽  
Self Assembling ◽  
Alkyl Ethers ◽  
Dynamics Simulations

Poly(oxyethylene) alkyl ethers, usually denoted by CiEj surfactants, exhibit a rich phase behavior in water, self-assembling to form a variety of 3-D structures with a controllable morphology that find multiple...

scholarly journals Self-assembly and adsorption of cetyltrimethylammonium bromide and didodecyldimethylammonium bromide surfactants at the mica–water interface

Soft Matter ◽  
2019 ◽  
Vol 15 (41) ◽  
pp. 8402-8411 ◽  
Author(s):  
Georgia Tsagkaropoulou ◽  
Finian J. Allen ◽  
Stuart M. Clarke ◽  
Philip J. Camp
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
Cetyltrimethylammonium Bromide ◽  
Ionic Surfactants ◽  
Water Interface ◽  
Didodecyldimethylammonium Bromide ◽  
Dynamics Simulations ◽  
Shed Light

Molecular-dynamics simulations are used to explore bilayers formed by simple ionic surfactants at the mica–water interface, and to shed light on experimental observations.

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems

Science ◽  
2008 ◽  
Vol 321 (5890) ◽  
pp. 798-800 ◽  
Author(s):  
M. L. Klein ◽  
W. Shinoda
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Self Assembling ◽  
Dynamics Simulations
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