Monte carlo simulations of self-assembled surfactant aggregates

Langmuir : the ACS Journal of Surfaces and Colloids
T ZehlP Schiller

Abstract

Monte Carlo simulations provide some insight into the self-assembly of amphiphiles in aqueous environment. A rather simple solvent-free model, with only two adjustable parameters in the effective pair potential, allows one to describe the formation of micelles, stable curved membranes, and metastable vesicles. Characteristic features of the self-assembled aggregates, such as the distribution of the micelle size and the value of the curvature elastic constant for membranes, can be obtained from simulated data. The capability of the simple approach was demonstrated for a surfactant model with three spherical segments. The extension of the simulation to molecules with more segments and branched amphiphiles is straightforward.

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Citations

Dec 23, 2009·The Journal of Chemical Physics·Jianhua HuangChangji Qian
Mar 19, 2014·The Journal of Chemical Physics·Asfaw Gezae Daful, Allan D Mackie
Nov 26, 2008·The Journal of Chemical Physics·Jonathan R Davis, Athanassios Z Panagiotopoulos
Sep 28, 2013·The Journal of Chemical Physics·Guadalupe Jiménez-SerratosFelipe J Blas
Feb 2, 2012·Langmuir : the ACS Journal of Surfaces and Colloids·Asfaw Gezae DafulAllan D Mackie
Sep 18, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·Yingying GuoRobert K Y Li
May 19, 2010·Journal of Colloid and Interface Science·Shi-Ming YuanShi-Ling Yuan
Nov 20, 2014·Dalton Transactions : an International Journal of Inorganic Chemistry·Zolfaghar RezvaniFatemeh Khodam
Mar 11, 2011·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Thomas E OuldridgeJonathan P K Doye
Sep 25, 2009·The Journal of Physical Chemistry. B·Suman K SamantaPrabal K Maiti
Jan 23, 2009·Langmuir : the ACS Journal of Surfaces and Colloids·T ZehlH-J Mögel
Jun 17, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Hui YanCheng-Bu Liu
Jul 1, 2009·Langmuir : the ACS Journal of Surfaces and Colloids·T ZehlP Schiller
Jul 6, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Mahmoud AlhreezDongsheng Wen

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