An AOT reverse micelle in a medium of supercritical carbon dioxide

摘要

Reverse micelles of Aerosol OT in the medium of supercritical carbon dioxide have been simulated by the molecular dynamics method. For the first time, a micelle in ternary water-Aerosol OT-supercritical CO2 has been simulated by describing the surfactant and the supercritical liquid in terms of the coarse-grained approach. It has been shown that the structural and energetic characteristics of the micelle are, with a good accuracy, described within the framework of simplified models.