Monte Carlo Simulation for Ternary System of Water/Oil/ABA Triblock Copolymers

Abstract

We performed Monte Carlo simulation of water/oil/ABA triblock amphiphiles with hydrophilic A and hydrophobic B, on a 51×51×51 simple cubic lattice with periodic boundary conditions in x‐ and y‐directions. Bond fluctuation model(BFM) was used to describe amphiphile, where excluded volume effect and flexible movement of polymer bonds are ascertained. The ratio of water to oil was changed from 10/85 to 50/45 with 5% fixed dilute amphiphiles. For small water/oil ratio, many cubic water clusters surrounded by loop‐shaped amphiphiles dispersed in oil and they were bridged between each other by bridge‐shaped amphiphiles. On the other hand, phase separation between water and oil plus amphiphiles clearly occurred for large water/oil ratio, where water formed one grid‐shaped cluster. At some intermediate water/oil ratio, water cells aggregated into two water clusters with shape of rectangular rod, spread in x‐ and y‐directions and separated in z‐direction by mainly loop‐shaped amphiphiles, where water clusters and ...