Field-theoretic polymer simulations

Department of Chemical Engineering and Materials Research Laboratory University of California - Santa Barbara, CA 93106, USA

Received: 18 April 2001
Accepted: 2 July 2001

Abstract

A method is presented for numerically sampling functional integrals in field theory models of polymer solutions and melts. The approach effectively relaxes the mean-field approximation in self-consistent field theories of equilibrium polymer phases. Viewed from another perspective, the method provides an alternative to conventional particle-based simulations of coarse-grained models of polymers. We demonstrate the technique by applying it to examine fluctuation effects on the order-disorder transition in symmetric diblock copolymer melts. Extensions to more complex polymer blends, copolymers, and solutions are outlined.