Monte Carlo Simulations of the Morphologies and Conformations of Triblock Copolymer Thin Films

✍ Scribed by Yongmin Huang; Honglai Liu; Ying Hu

• Publisher: John Wiley and Sons
• Year: 2006
• Tongue: English
• Weight: 548 KB
• Volume: 15
• Category: Article
• ISSN: 1022-1344
• DOI: 10.1002/mats.200500043

✦ Synopsis

Abstract

Summary: The morphologies and conformations of triblock copolymer (ABA and ABC) thin films confined between two identical walls were investigated by Monte Carlo simulation using bond length fluctuation and cavity diffusion algorithm on cubic lattice. Effects of the wall‐block interactions, copolymer chain composition and film thickness on morphologies, as well as on the fraction of chain “bridge” conformation f~bridge~ are presented in detail. In ABA thin film, column, parallel, perforated and perpendicular lamellas were discriminated, furthermore, the transition of morphology and the variation of f~bridge~ of ABA film along with the increase of thickness were revealed. In ABC thin film, lamella especially perpendicular lamella morphologies are predominant in varying the wall‐block interactions and the thickness. The results are consistent with some theoretical predictions such as DDFT and simulations reported in literature.

Isodensity profile of A~5~B~5~A~5~ thin film.

imageIsodensity profile of A~5~B~5~A~5~ thin film.