Field-theoretic polymer simulations
Department of Chemical Engineering and
Materials Research Laboratory
University of California - Santa Barbara, CA 93106, USA
Accepted: 2 July 2001
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.
PACS: 61.25.Hq – Macromolecular and polymer solutions; polymer melts; swelling / 61.41.+e – Polymers, elastomers, and plastics / 64.75.+g – Solubility, segregation, and mixing; phase separation
© EDP Sciences, 2001