Energy Conversion in Polyelectrolyte Hydrogels

Aykut Erbas, M Olvera de la Cruz*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

Using extensive molecular dynamics simulations of polyelectrolyte hydrogels we demonstrate that, on deformation, these hydrogels adjust their deformed state predominantly by altering electrostatic interactions between their charged groups rather than excluded-volume and bond energies. On deformation, due to the hydrogel's inherent tendency to preserve electroneutrality in its interior, the translational entropy of counterions decreases and the total electrostatic energy becomes more attractive. This result is valid for a wide range of compression ratios and Bjerrum lengths. The change in the electrostatic energy is more marked in highly swollen gels at low ionic strengths. At high Bjerrum lengths, where most of the counterions are condensed on hydrogel chains and the gel resembles a neutral system, the electrostatic-energy change with deformation is weaker.

Original languageEnglish (US)
Pages (from-to)857-861
Number of pages5
JournalACS Macro Letters
Volume4
Issue number8
DOIs
StatePublished - Aug 3 2015

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

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