A. Bhattacharya et al., SELF-ASSEMBLY OF NEUTRAL AND IONIC SURFACTANTS - AN OFF-LATTICE MONTE-CARLO APPROACH, The Journal of chemical physics, 108(24), 1998, pp. 10281-10293
We study self-assembly of surfactants in two dimensions using off-latt
ice Monte Carlo moves. Here the Monte Carlo moves consist of slitherin
g snake reptation motion of the surfactant chains and kink-jump of the
individual monomers. Unlike many previous studies an important featur
e of our model is that the solution degrees of freedom are kept implic
it in the model by appropriate choice of the phenomenological interact
ion parameters for the surfactants. This enables us to investigate rat
her large systems with less number of parameters. The method is powerf
ul enough tb study multimicellar systems with regular and inverted mic
elles for both neutral and ionic surfactants. As a function of several
parameters of the model, we study self-assembly of neutral surfactant
s into micelles of various forms-and sizes and compute appropriate clu
ster-size distributions. Ionic surfactants exhibit, apart from micelli
zation, additional intermicellar ordering.-We further study the role o
f host particles to mimic recent experiments on surfactant-silicate co
operative self-assembly, and demonstrate the possibility of generalize
d pathways leading to-host encased micellization. (C) 1998 American In
stitute of Physics.