화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.10, 4476-4479, 2000
Density-functional studies of amphiphilic binary mixtures. I. Phase behavior
Density-functional theory with interaction site model is applied to study binary mixtures consisting of Lennard-Jones atoms with hard-spherical cores (monomers) and bonded Lennard-Jones atoms of two hard-sphere sites (dimers). Strong amphiphilic interaction is shown to result in lamellae in the bulk condensed phase. A phase diagram showing disorder-lamellar phase boundaries and tricritical points is presented for a system with reduced interaction between the molecular species. Density distributions in the lamellar phase indicate that the mole fraction in the lamellae is determined by the concentration of the monomers.