The process of formation of nanoparticles obtained by mixing two micellized, aqueous solutions has been simulated using the Monte Carlo technique. The model includes the phenomena of finite nucleation, growth via intermicellar exchange, and coagulation of nanoparticles after their formation. Using the model, an exploratory study has been conducted to analyze whether the coagulation of nanoparticles is the reason for the formation of nanoparticles whose sizes are comparable to the size of the reverse micelles. The model explains the possible mechanism of coagulation of semiconductor nanoparticles formed within reverse micelles and its effect on the evolution of their size with time. The model is predictive in nature, and the simulation results compare well with those observed experimentally.

The process of formation of nanoparticles obtained by mixing two micellized, aqueous solutions has been simulated using the Monte Carlo technique. The model includes the phenomena of finite reaction, nucleation, and growth via intermicellar exchange. This exploratory study examines the characteristic particle size distributions (PSDs) that result from using combinations of different initial reactant distributions (Poissonian and geometric) and different types of intermicellar exchange protocols (random, cooperative, and binomial). It is observed that the PSDs obtained using an initial Poissonian distribution of reactants and random exchange rules are similar to reported experimental results for CdS nanoparticles. The effect of exchange efficiency and reaction rate has also been studied. It is seen that a high exchange efficiency leads to relatively larger particle sizes. Also, a slow reaction rate has been shown to lead to the formation of larger nanoparticles.

The process of formation of core−shell nanocrystals, using a reverse micellar system, has been modeled using the Monte Carlo technique, and the post-core route for the formation of core−shell nanocrystals has been studied. The model is divided into two parts:  (a) the formation of core nanoparticles and their subsequent growth due to coagulation, and (b) the formation of the shell via the ion-displacement mechanism. The model for core nanoparticle formation and subsequent growth includes the phenomena of finite nucleation, growth via intermicellar exchange, and coagulation of nanoparticles after their formation. The growth of the core is taken to be limited by the size of the micellar core. The model explains the possible mechanism of core−shell nanocrystal formation. The simulation results compare well with those observed experimentally.

Synthesis of CaCO3 nanoparticles by carbonation of lime solutions in reverse micellar systems Heeres, Hero; Jain, R.; Mehra, A.; Dagaonkar, M.V. pplication of reverse micelles for the synthesis of nano-sized calcium carbonate particles in different solvents (cyclohexane, decane and heptane) has been investigated. The effect of the mole ratio of water-to-surfactant (R) and type of solvent has been studied on the size and nature of the carbonate particles. The results indicate that an increase in water-to-surfactant ratio results in a larger particle size.

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