Role of hydrogen bonding in hysteresis observed in sorption-induced swelling of soft nanoporous polymers

Nature Communications
Mingyang ChenJan Carmeliet

Abstract

Hysteresis is observed in sorption-induced swelling in various soft nanoporous polymers. The associated coupling mechanism responsible for the observed sorption-induced swelling and associated hysteresis needs to be unraveled. Here we report a microscopic scenario for the molecular mechanism responsible for hysteresis in sorption-induced swelling in natural polymers such as cellulose using atom-scale simulation; moisture content and swelling exhibit hysteresis upon ad- and desorption but not swelling versus moisture content. Different hydrogen bond networks are examined; cellulose swells to form water-cellulose bonds upon adsorption but these bonds do not break upon desorption at the same chemical potential. These findings, which are supported by mechanical testing and cellulose textural assessment upon sorption, shed light on experimental observations for wood and other related materials.

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Citations

Aug 11, 2020·Physical Chemistry Chemical Physics : PCCP·Karteek K BejagamGhanshyam Pilania
Aug 8, 2020·Advanced Materials·Varvara Apostolopoulou-KalkavouraLennart Bergström
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Jul 2, 2020·Nanomaterials·Darya GurinaAnatoly Zakharov
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May 24, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Mingyang ChenJan Carmeliet
Aug 29, 2019·ACS Omega·Philippe GrönquistIngo Burgert
Aug 21, 2021·Nature Communications·E C Tredenick, G D Farquhar
Sep 1, 2020·The Journal of Physical Chemistry. B·Mingyang ChenJan Carmeliet
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Dec 30, 2021·Langmuir : the ACS Journal of Surfaces and Colloids·Loïc MichelCyril Picard

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