Field-theoretic polymer simulations
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.
- Publication:
-
EPL (Europhysics Letters)
- Pub Date:
- September 2001
- DOI:
- 10.1209/epl/i2001-00353-8
- Bibcode:
- 2001EL.....55..814G
- Keywords:
-
- 61.25.Hq;
- 61.41.+e;
- 64.75.+g;
- Macromolecular and polymer solutions;
- polymer melts;
- swelling;
- Polymers elastomers and plastics;
- Solubility segregation and mixing;
- phase separation