Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

Monte Carlo simulations are presented for a model of a symmetrical polymer mixture on the simple cubic lattice, modeling both polymers A, B by self-avoiding walks of NA=NB=N steps. If a pair of nearest-neighbor sites is taken by monomers of the same species, an energy ε is won. In the Monte Carlo algorithm local motions of the chains are considered (allowing for 20% vacancies to ensure enough chain mobility) as well as transformations of A chains into B chains and vice versa, since the simulation applies the grand-canonical ensemble where the chemical potential difference rather than the volume fraction is fixed. The phase diagram, the excess specific heat, and the structure factor in the long-wavelength limit are obtained for N=4, 8, 16, and 32 using finite L×L×L lattices with L ranging from 8 to 20. Analyzing these results with finite size scaling techniques, both critical exponents and critical amplitudes are estimated. Although the exponents are consistent with those of the three-dimensional Ising model, the variation of critical amplitudes with N is much closer to mean-field predictions. In contrast to qualitative expectations (‘‘Ginzburg criterion’’), the crossover scaling region from Ising to mean-field behavior has not yet been reached. Implications for experimental work are briefly discussed.

Bibliography

Sariban, A., & Binder, K. (1987). Critical properties of the Flory–Huggins lattice model of polymer mixtures. The Journal of Chemical Physics, 86(10), 5859–5873.

Authors 2
  1. A. Sariban (first)
  2. K. Binder (additional)
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Dates
Type When
Created 23 years ago (July 26, 2002, 9:10 a.m.)
Deposited 1 year, 6 months ago (Feb. 10, 2024, 1:13 a.m.)
Indexed 2 months, 3 weeks ago (June 2, 2025, 3:47 a.m.)
Issued 38 years, 3 months ago (May 15, 1987)
Published 38 years, 3 months ago (May 15, 1987)
Published Print 38 years, 3 months ago (May 15, 1987)
Funders 0

None

@article{Sariban_1987, title={Critical properties of the Flory–Huggins lattice model of polymer mixtures}, volume={86}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452516}, DOI={10.1063/1.452516}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Sariban, A. and Binder, K.}, year={1987}, month=may, pages={5859–5873} }