A potential well model for host-guest chemistry in double-network hydrogels toward mechanochemical coupling and toughening

Xing, Ziyu, Lu, Haibao, Lau, Denvid and Fu, Yong Qing (2023) A potential well model for host-guest chemistry in double-network hydrogels toward mechanochemical coupling and toughening. Journal of Physics D: Applied Physics, 56 (6). 065302. ISSN 0022-3727

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Official URL: https://doi.org/10.1088/1361-6463/acae33


Different from the conventional single-network hydrogels, double-network (DN) hydrogels have attracted great research interest due to their ultra-high toughness, however, their working principles behind complex mechanochemical coupling have not been fully understood. In this study, an extended potential well model is formulated to investigate host-guest chemistry and free-energy trap effect, coupled in the DN hydrogels undergoing mechanochemical toughening. According to the Morse potential and mean field model, the newly established potential well model can describe the coupled binding of host brittle network and guest ductile network in the DN hydrogels. A free-energy equation is further proposed to describe working principles of mechanochemical coupling and toughening mechanisms using the depth, width and trap number of potential wells, which determine the barrier energy of host brittle network, mesh size of guest ductile network and mechanochemical host-guest interactions of these two networks, respectively. Finally, effectiveness of the proposed model is verified using finite-element analysis and experimental results of various DN hydrogels reported in literature. This study clarifies the linking of mechanochemical coupling and toughening mechanisms in DN hydrogels having the host-guest chemistry from both brittle and ductile networks using the potential well model.

Item Type: Article
Additional Information: Funding information: This work was financially supported by the National Natural Science Foundation of China (NSFC) under Grant No. 11725208 and 12172107, International Exchange Grant (IEC/NSFC/201078) through Royal Society UK and the NSFC.
Uncontrolled Keywords: hydrogel, potential well, host-guest chemistry
Subjects: C700 Molecular Biology, Biophysics and Biochemistry
F100 Chemistry
F200 Materials Science
Department: Faculties > Engineering and Environment > Mathematics, Physics and Electrical Engineering
Depositing User: Rachel Branson
Date Deposited: 03 Jan 2023 09:54
Last Modified: 12 Jan 2024 03:30
URI: https://nrl.northumbria.ac.uk/id/eprint/51013

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