A self-consistent field study of the wetting transition in binary polymer blends

被引:6
作者
Genzer, J
Composto, RJ
机构
[1] UNIV PENN, DEPT MAT SCI & ENGN, PHILADELPHIA, PA 19104 USA
[2] UNIV PENN, RES STRUCT MATTER LAB, PHILADELPHIA, PA 19104 USA
关键词
D O I
10.1063/1.473222
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A self-consistent field approach is used to investigate the partial to complete wetting transition for an A:B polymer blend at coexistence where polymers A and B have equal numbers of segments, N. The surface free energy, F-s, is modeled using the quadratic form suggested by Schmidt and Binder [J Phys. II (France) 46, 1631 (1985)], namely, F-s = -mu phi(1) - 0.5 g phi(1)(2), where mu and g are the surface equivalents of the bulk chemical potential and interaction energy, respectively, and phi(1) is the surface volume fraction of the surface preferred component (A). For selected values of g and the bulk volume fraction of A, phi(infinity), the volume fraction profile and A surface excess, z*, are calculated as a function of increasing mu. The first and second order wetting transitions are indicated by a discontinuity and divergence, respectively, of z* and phi(1). In our simulations, at,high values of phi(infinity) only first order transitions are detected for both N = 100 and N = 1000. However, both first and second order wetting transitions are observed for low values of phi(infinity) depending on the value of g. The latter results contrast with those of Carmesin and Noolandi [Macromolecules 22, 1689 (1989)], who found that only first order wetting transitions are possible polymer mixtures. However, our results are in agreement with recent Monte Carlo simulations carried out by Wang and Binder [J. Chem. Phys. 94, 8537 (1991)] and Pereira and Wang [J. Chem. Phys. 104, 5294 (1996)]. (C) 1997 American institute of Physics.
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页码:1257 / 1263
页数:7
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