Modeling Investigation of Hydrogel Volume Transition

Shunnian Wu*, Hua Li, J. Paul Chen, K. Y. Lam

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

62 Scopus citations

Abstract

This paper provides an overview of the latest development in modeling and simulation of volume transition behaviors of hydrogels with models at both macroscopic and molecular levels. Energy conservation law, mass conservation law and momentum conservation law provide good starting points for developing models for hydrogel volume transition. Thermodynamic models, transport models, multiphasic mixture theory and molecular simulation are discussed. Thermodynamic models provide qualitative description of equilibrium volume transition of hydrogels. Both transport models and multiphasic mixture theory can predict transient and equilibrium volume transition of hydrogels. Molecular simulation provides mechanistic understanding of hydrogel volume transition. Several key parameters are summarized for future model development.

Original languageEnglish
Pages (from-to)13-29
Number of pages17
JournalMacromolecular Theory and Simulations
Volume13
Issue number1
DOIs
StatePublished - 12 Jan 2004
Externally publishedYes

Keywords

  • Conservation laws
  • Hydrogels
  • Modeling
  • Molecular simulation
  • Volume transition

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