Simulation and theory of the swelling of athermal gels

被引:55
作者
Escobedo, FA
dePablo, JJ
机构
[1] Department of Chemical Engineering, University of Wisconsin-Madison, Madison
关键词
D O I
10.1063/1.473166
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
Results of Monte Carlo simulations are presented for the equilibrium swelling of athermal (hard-core) polymeric gels. The networks investigated in this study are defect-free and exhibit strand lengths that range from small to moderate. It is shown that at equilibrium increasing pressure and strand length leads to higher solvent holdups by the gel. Computer experiments of swelling of gels in binary solvent mixtures indicate that the gel absorbs preferentially the component having the smaller molecular excluded volume. A simple mean-field theory is also presented to describe the swelling of athermal networks. Agreement between theory and simulations is good. (C) 1997 American Institute of Physics.
引用
收藏
页码:793 / 810
页数:18
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