Molecular dynamics simulation for phase behavior of amphiphilic solution

• Published in: Computer physics communications Vol. 182; no. 1; pp. 192 - 194
• Main Authors: Fujiwara, Susumu, Funaoka, Daiki, Itoh, Takashi, Hashimoto, Masato
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 2011
• Subjects: Amphiphilic solution; Attraction; C (programming language); Computer simulation; Hexagonal phase; Isotropic micellar phase; Lamellar phase; Mathematical models; Molecular dynamics; Molecular dynamics simulation; Phase behavior; Phase transformations; Quenching; Solvents; Isotropic micellar phase; Molecular dynamics simulation; Hexagonal phase; Phase behavior; Amphiphilic solution; Lamellar phase

The phase behavior of amphiphilic solution is investigated by molecular dynamics simulation of amphiphilic rigid dimers with explicit solvent molecules. Our simulations show that three kinds of phases (isotropic micellar, hexagonal and lamellar phases) are formed at a lower temperature by quenching...