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Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions
De-Wei Yin1, Monica Olvera de la Cruz, Juan J de Pablo
1Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, Wisconsin 53706-1691, USA.
Abstract:
The swelling of polyelectrolyte (PE) gels by 1:1 and 2:1 salts is studied via osmotic ensemble Monte Carlo simulations at constant osmotic pressure and electrolyte chemical potential of a reservoir phase in equilibrium with a model PE network. Large molecular weight gels exhibit a remarkable swelling response to small changes in 2:1 salt concentration. Gel collapse is accompanied by the formation of a previously unknown heterogeneous nanostructure, predicted by theory and observed in simulations, consisting of regions dense in monomers coexisting with regions rich in mono- and divalent ions.
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