Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

De Wei Yin; Monica Olvera De La Cruz; Juan J. De Pablo

doi:10.1063/1.3264950

Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

De Wei Yin, Monica Olvera De La Cruz, Juan J. De Pablo

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

66 Scopus citations

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.

Original language	English (US)
Article number	194907
Journal	Journal of Chemical Physics
Volume	131
Issue number	19
DOIs	https://doi.org/10.1063/1.3264950
State	Published - 2009

Funding

The authors are grateful for support from the U.S. National Science Foundation (NSF) through the University of Wisconsin-Madison Materials Research Science and Engineering Center (MRSEC) on Nanostructured Interfaces (Award No. 0520527) and the NSF-EC Multiscale Modeling Collaborative Grant (Award No. 0503940).

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions",

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.",

author = "Yin, \{De Wei\} and \{Olvera De La Cruz\}, Monica and \{De Pablo\}, \{Juan J.\}",

note = "Funding Information: The authors are grateful for support from the U.S. National Science Foundation (NSF) through the University of Wisconsin-Madison Materials Research Science and Engineering Center (MRSEC) on Nanostructured Interfaces (Award No. 0520527) and the NSF-EC Multiscale Modeling Collaborative Grant (Award No. 0503940).",

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AU - Yin, De Wei

AU - Olvera De La Cruz, Monica

AU - De Pablo, Juan J.

N1 - Funding Information: The authors are grateful for support from the U.S. National Science Foundation (NSF) through the University of Wisconsin-Madison Materials Research Science and Engineering Center (MRSEC) on Nanostructured Interfaces (Award No. 0520527) and the NSF-EC Multiscale Modeling Collaborative Grant (Award No. 0503940).

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Y1 - 2009

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AB - 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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Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

Abstract

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