1 research outputs found
Phase Diagram for Self-assembly of Amphiphilic Molecule C12E6 by Dissipative Particle Dynamics Simulation
In a previous study, dissipative particle dynamics simulation was used to
qualitatively clarify the phase diagram of the amphiphilic molecule
hexaethylene glycol dodecyl ether (C12E6). In the present study, the
hydrophilicity dependence of the phase structure was clarified qualitatively by
varying the interaction potential between hydrophilic molecules and water
molecules in a dissipative particle dynamics (DPD) simulation using the Jury
model. By varying the coefficient of the interaction potential between
hydrophilic beads and water molecules as x=-20, 0, 10, and 20, at a
dimensionless temperature of T=0.5 and a concentration of amphiphilic molecules
in water of phi=50% the phase structures grew to lamellar (x=-20), hexagonal
(x=0), and micellar (x=10) phases. For x=20, phase separation occurs between
hydrophilic beads and water molecules