PHASE-SEPARATION OF POLYMER MIXTURES IN THE PRESENCE OF SOLVENT

被引:207
|
作者
SARIBAN, A [1 ]
BINDER, K [1 ]
机构
[1] UNIV MAINZ,INST PHYS,POSTFACH 3980,D-6500 MAINZ,FED REP GER
关键词
COMPUTER SIMULATION - MATHEMATICAL STATISTICS - Monte Carlo Methods - MIXTURES - Separation - SOLVENTS;
D O I
10.1021/ma00181a028
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
A model of a symmetrical polymer mixture, where both polymers A and B are modeled by self-avoiding walks of N//A equals N//B equals N steps on the simple cubic lattice and a lattice site is taken by either an A monomer, a B monomer, or a solvent molecule (or a vacancy V, respectively), is analyzed by Monte Carlo simulations, in order to analyze the validity of the predictions of the Flory-Huggins theory. We attribute huge discrepancies found between the 'exact' critical temperature of phase separation for this model and those predicted by the Flory-Huggins approximation to the crude treatment of chain configurational statistics in this approximation. We also obtain binodal curves and a scattering function and discuss the crossover from Ising-like critical behavior to mean-field critical behavior as N approaches infinity . Consequences for experimental work are briefly discussed.
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页码:711 / 726
页数:16
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