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Elasticity of swollen and folded polyacrylamide hydrogel using the MARTINI coarse-grained model

Seunghyok Rho, Heeyuen Koh, Ji Woong Yu, Hye Been Koo, Sebin Kim, Je-Yeon Jung, EunYeong Jung, Chongyong Nam, Jae Young Lee, Kyounghwa Jeon, Jae-Byum Chang*, Do-Nyun Kim*, Won Bo Lee*

ACS Applied Materials & InterfacesVol. 17, No. 3, pp. 5340-5351(2025)DOI
Hydrogel

Abstract

The elasticity of swollen and folded polyacrylamide hydrogels is modeled using MARTINI coarse-grained simulations. Swelling reduces chain entanglement density nonlinearly, and pre-folded gels develop direction-dependent elastic moduli.