Abstract
A self-consistent field (SCF) theory and a Monte Carlo (MC) simulation technique have been developed for block copolymer systems. Calculations were carried out using both SCF theory (with a simple mean-field potential) and MC simulation for an AB diblock copolymer chain for a wide range of solvent conditions. Fairly good agreement between these two methods was found. For an ABA triblock copolymer, a sharp transition between two conformations was observed by MC simulation: in one state conformation the copolymer has two collapsed A globules at either end of the B block chain and in the other state conformation one collapsed A globule comprising of the two A blocks with a loop of the B block chain sticking out. It is our strong suspicion that this would be a true phase transition in the limit of infinite chain length. Copyright © 1996 Elsevier Science Ltd.
| Original language | English |
|---|---|
| Pages (from-to) | 339-346 |
| Number of pages | 7 |
| Journal | Polymer |
| Volume | 38 |
| Issue number | 2 |
| Publication status | Published - 1997 |
Keywords
- Block copolymer
- Conformation
- Monte Carlo simulation
- Phase transition
- Selective solvents
- Self-consistent field theory