Mean-field Gaussian chain theory for semidilute theta chains in a slit

被引:9
|
作者
Teraoka, I
Cifra, P
机构
[1] Polytech Univ, Herman F Mark Polymer Res Inst, Brooklyn, NY 11201 USA
[2] Slovak Acad Sci, Inst Polymer, Bratislava 84236, Slovakia
来源
JOURNAL OF CHEMICAL PHYSICS | 2001年 / 115卷 / 24期
关键词
D O I
10.1063/1.1420750
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
Mean-field Gaussian chain theory for nondilute polymer solutions is being applied to polymer chains in the theta condition confined to a slit in a wide range of concentrations. Various existing lattice chain theories were used to obtain the effective potential for the Gaussian chain. Calculation results for the monomer density profile, the partition coefficient, and the chain dimension across the slit at various concentrations were computed and compared with the results obtained in the lattice Monte Carlo simulations. The need for a higher concentration to flatten the density profile and to cause the weak-to-strong penetration transition, compared with athermal chains, was confirmed. At the monomer-monomer interaction widely used as the theta condition on the cubic lattice, the chain cluster theory by Freed and the random mixing approximation by Huggins provide a better agreement with the simulation results than the Flory model and the Guggenheim model do. The agreement is, however, not as good as the one for athermal chains. (C) 2001 American Institute of Physics.
引用
收藏
页码:11362 / 11370
页数:9
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