Structure of Phosphate Fluorosurfactant Based Reverse Micelles in Supercritical Carbon Dioxide

Abstract

The existence of microemulsions in the system composed of phosphate-based fluorosurfactant, water, and supercritical CO2 is demonstrated by small-angle neutron scattering experiments. A computer simulation study performed on a reverse micelle created in this system shows that the micelle remains stable over a 4 ns time period of the simulation. While the data obtained from the experiments provide information about the size of the reverse micelle, the data obtained from the simulations provide additional information about the shape and structure of such a micelle. Small-Angle Neutron Scattering Experiments The presence of microemulsion water pools was directly confirmed using SANS measurements on the KWS2 SANS facility 16 at the FRJ2 reactor in Jü lich, Germany, with a 48 × 48 cm 2 area detector with cell size 0.8 × 0.8 cm 2 and a wavelength

Molecular dynamics simulation of a polysorbate 80 micelle in water

“…Such a shape has been reported for micelles of a number of other surfactants (eg. 14,38 ). The eccentricity The average atomic-density profiles computed with respect to the centre of mass of the micelle are given in Figure 10.…”

Molecular dynamics simulation studies of CO2 – [bmim][PF6] solutions: Effect of CO2 concentration

“…1 scCO 2 is one of the well-studied systems through experimental 2,3 and computational [4][5][6][7] approaches. One of the interesting characteristics of scCO 2 is its liquid-like density and gas-like transport properties.…”

Molecular Dynamics Simulation of Surfactant Microaggregates in the Apolar Medium of n-Octane

“…As to other characteristics of micelles, the data of [2,3] showed good agreement. A more advanced model of a surfactant was used in [4,5]. Micelles in those works were represented by an aqueous cavity containing dissolved molecules of sodium di(2-(perfluorohexanone)ethyl) phosphate.…”

“…The interaction potentials in the micellar system were found using quantummechanical calculations. The structure, shapes, and dimensions of the micelles were determined in [4]. Surface fluctuations and stability of micelles received special attention in that study.…”