Dynamic model of monovalent-divalent cation exchange in polyelectrolyte gels

Matan Mussel, Owen Lewis, Peter J. Basser, Ferenc Horkay

Research output: Contribution to journalArticlepeer-review

Abstract

A multicomponent model that imposes conservation laws and constitutive relations for polymer chains, water, and ions was investigated by determining the transient changes in a negatively charged gel exposed to a solution containing both mono-and divalent cations. Association of ion exchange with gel volume is achieved by imposing a linear relation between the polymer-solvent interaction parameter and concentration of divalent cations adsorbed onto the polymer chains. Semiquantitative agreement with measurements made on sodium polyacrylate gels is demonstrated in three aspects: (1) dynamics of gel swelling and deswelling, (2) ion partitioning coefficient, and (3) effect of cross-link density. These results imply that the multicomponent coarse-grained continuum modeling approach can be useful for quantitative predictions over macroscopic length and timescales including the description of volume transitions exhibited by these systems.

Original languageEnglish
Article number035602
JournalPhysical Review Materials
Volume6
Issue number3
DOIs
StatePublished - Mar 2022

Bibliographical note

Funding Information:
We thank Alexandros Chremos, Nathan Hu Williamson, Velencia Witherspoon, and Rea Ravin for fruitful discussions. M.M. thanks Sinisa Pajevic for assistance with running the calculations at the NIH High Performing Computation (HPC) Biowulf cluster. M.M., P.J.B., and F.H. acknowledge support by the Intramural Research Program of the Eunice Kennedy Shriver National Institute of Child Health and Human Development, NIH. O.L. acknowledges funding by NIH Grant No. 5R01GM131408-04.

Publisher Copyright:
© 2022 American Physical Society.

ASJC Scopus subject areas

  • Materials Science (all)
  • Physics and Astronomy (miscellaneous)

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