Reverse micelles

The properties of water in a confined environment can be drastically different than the bulk water. In a confined system, e.g. the interior of a reverse micelle, there exist at least two distinct regions namely ''interfacial water'' characterized by markedly slower dynamics, and ''core water'', which may resemble bulk water for a larger size of the water pool. Using atomistic molecular dynamics simulations, we systematically investigate the presence of bulk-like water in AOT reverse micelles (RMs) with varying size given by w 0 = [H 2 O]/[AOT] = 10, 15 and 20. In order to understand the effect of the negatively charged interface of the RM, we have performed control studies for the model systems of water-in-oil (isooctane) nanodroplets with the same size of the water pool as the RM systems. In order to quantify the deviations from bulk-like behavior, we have used three kinds of structural order parameters, namely (i) number density to probe the local translational ordering, (ii) tetrahedral order and hydrogen bond distribution to probe the local orientational ordering, and (iii) dipolar orientation relative to the radial vector to capture the global orientational ordering of the water dipoles. We demonstrate that the size of the ''core water'' region that resembles bulk water decreases in the above order, i.e. orientational order parameters of water molecules are perturbed by the charged interface to a larger length scale as compared to the translational order. We have compared the translational and rotational dynamics of the water molecules for the interfacial and core regions to find that the slower dynamics persists even for the core water for the size range that we have studied although to a much lesser extent as compared to the interfacial water. Moreover, we demonstrate that the hydrophobic interface in the water-in-oil nanodroplets has a much weaker effect on the structure and dynamics of the confined water molecules as compared to the anionic RMs. Thus, the major contribution towards the structural ordering and slow dynamics of water in a charged RM system would originate from the strong electrostatic and hydrogen bonded interactions with the interface, and not due to the spatial confinement effect.

Molecular dynamics (MD) simulation of [Cd(II)] along with nitrate ions and water in dodecane was carried out for different nitric acid concentrations. The extraction process using N,N,N’,N’-tetraoctyldiglycolamide (TODGA) and tributyl phosphate (TBP), in biphasic systems, is also simulated at three nitric acid concentrations. In the TBP-based system, the formation of a third phase was observed at 3 M nitric acid concentration. Cd(II) ions form reverse micelles-like clusters with TODGA as an extractant in dodecane. The mass percentage of TODGA in these clusters decreases with increase in the acid concentration while increasing the size of the aggregates at the same time.

Titania nanocrystalline particles were synthesized by hydrolysis-condensation of titanium tetraisopropoxide in water-in-oil micellar solutions of water/cyclohexane/Triton X-100 system, and the effects of reflux time and water-to-surfactant molar ratio on the particle uniformity, crystallinity, and surface area were studied. Several characterization techniques including TEM and SEM, as well as X-ray diffraction and FT-IR spectroscopy, helium pycnometry, and nitrogen physisorption, were employed to evaluate the particle density and dimensions, crystallite size, surface area value, and the porosity features in the as-prepared condition and also after thermal treatment at 500 ° C. e results show that all treated samples are dense nanocrystalline anatase particles with BET surface area values over 100 m 2 ·g − 1 and primary particle size of 10-15 nm. However, for the as-prepared samples, as the reflux time increases, a better purification of particles from the synthesis environment is resulted, leading to denser and more crystalline powders with smaller particle size and higher BET surface area values culminating in 179 m 2 ·g − 1 for 24 hours of refluxing. Moreover, decreasing the water-to-surfactant molar ratio from 10 to 5 and 2 increases the particles surface area to 239 and 224 m 2 ·g − 1 , respectively, at the expense of slight density and crystallinity degradation and considerable prolongation of surfactant removal step. Supportively, the comparison between photocatalytic activities of as-prepared samples also evidences the effectiveness of reflux time extension on improving the sample features and enhancing their functionality. is study can highlight how the earlier synthesis steps can influence the evolution of the structure of the final products.