Density Functional Theory for Block Copolymer Melts and Blends

TL;DR

This paper develops a generalized density functional theory for block copolymer blends, enabling efficient computation of phase separation phenomena across various polymer topologies.

Contribution

It introduces a unified free energy functional for block copolymer and homopolymer blends, extending existing theories and facilitating faster phase behavior calculations.

Findings

Provides a computationally stable method for phase separation analysis.

Generalizes Flory-Huggins-de Gennes and Ohta-Kawasaki theories.

Applicable to diverse polymer topologies.

Abstract

We derive an expression for the free energy of the blends of block copolymers expressed as a functional of the density distribution of the monomer of each block. The expression is a generalization of the Flory-Huggins-de Gennes theory for homo polymer blends, and also a generalization of the Ohta-Kawasaki theory for the melts of diblock copolymers. The expression can be used for any blends of homopolymers and block copolymers of any topological structure. The expression gives a fast and stable computational method to calculate the micro and macro phase separation of the blends of homopolymers and block copolymers.