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    Stochastic modeling of degradation behavior of hydrogels

    , Article Macromolecules ; Volume 51, Issue 11 , 2018 , Pages 3941-3952 ; 00249297 (ISSN) Jahanmir, G. S ; Abdekhodaie, M. J ; Chau, Y ; Sharif University of Technology
    American Chemical Society  2018
    Abstract
    We describe here a theoretical framework to model the bulk degradation of hydrogels, which are prepared by chemical cross-linking of pendant functional groups on long polymer chains. The random order of the cleavage of degradable bonds was described by stochastic Monte Carlo simulation. The events of bond cleavage were related to the macroscopic changes of hydrogel by the Bray-Merrill equation. Next, the time for the gel to disintegrate was predicted by considering the relation between the recursive nature in breaking the cross-link nodes and gel-to-sol transition. To start the simulation, initial network properties including the number of active functional groups on the polymer chain and...