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Abstract
The distribution of dissolved macromolecules between a bulk solution and the interior of a porous substrate occurs in a variety of technologically important systems. The partition coefficient K, which is the ratio of concentration in the pores to that in the bulk, is primarily determined by the effective size of the polymer molecules. For dilute solutions, K decreases rapidly as the effective polymer dimensions exceed the average pore size. We have used liquid-state theory to construct a rigorous integral equation model for the structure of concentrated flexible linear polymers in the presence of a rigid matrix of discrete repulsive obstacles. We have used the structural information to calculate the thermodynamic properties of the polymer in these model porous materials. In particular, we have been able to calculate the partition coefficient as a function of concentration. The model provides good agreement with thermodynamic properties obtained from previous computer simulations of bulk polymer solutions as well as with our own simulations of polymers in porous materials.
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