Amphiphiles such as lipids and surfactants show a variety of self-assembled structures in aqueous solution. Understanding of the various self-assembled structures and their stability, which varies depending on the amphiphile concentration and temperature, is of key importance in scientific and industrial applications. In this review, we illustrate our recent study to approach the subject by using coarse-grained molecular simulations.
The present review gives a brief introduction to computational fluid dynamics (CFD) with a phase-field model for the simulation of wetting and capillary forces as well as the Pickering emulsions, which usually appear in a two-phase fluid system including solid bodies. Several types of capillary forces and their importance over other forces such as van der Waals force and electrostatic force are also explained.
Giant vesicle (GV), that is closed lipid bilayer membrane with the diameter larger than 1 μm, has drawn much attention as a cell membrane model because their membrane structure and size are similar to those of cell membranes. Conventional methods of the GV formation are based on the self-organization of bilayers and water (with water soluble substances), so that it is not easy to regulate the distribution of lamellarity of GVs in a butch. In this review, GV preparation by the centrifugation of a water-in-oil emulsion is introduced. This method affords us GVs with high uniformness in its lamellarity. Further applications of GV toward a novel bioreactor or a bioimaging probe with imaging contrast agent or functional membrane molecules are described.