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Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response

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  • معلومة اضافية
    • Contributors:
      Institut de Recherche de Chimie Paris (IRCP); Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL (ENSCP); Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Ministère de la Culture (MC); Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640) (PASTEUR); Département de Chimie - ENS Paris; École normale supérieure - Paris (ENS Paris); Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-École normale supérieure - Paris (ENS Paris); Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
    • بيانات النشر:
      HAL CCSD
      American Chemical Society
    • الموضوع:
      2015
    • Collection:
      Archive ouverte HAL (Hyper Article en Ligne, CCSD - Centre pour la Communication Scientifique Directe)
    • نبذة مختصرة :
      International audience ; We demonstrate here that microporous materials can exhibit softening upon adsorption of guest molecules, at low to intermediate pore loading, in parallel to the pore shrinking that is well-known in this regime. This novel and counterintuitive mechanical response was observed through molecular simulations of both model pore systems (such as slit pore) and real metal–organic frameworks. It is contrary to common belief that adsorption of guest molecules necessarily leads to stiffening due to increased density, a fact that we show is the high-loading limit of a more complex behavior: a nonmonotonic softening-then-stiffening.
    • Relation:
      hal-02115286; https://hal.archives-ouvertes.fr/hal-02115286; https://hal.archives-ouvertes.fr/hal-02115286/document; https://hal.archives-ouvertes.fr/hal-02115286/file/postprint.pdf
    • الرقم المعرف:
      10.1021/acs.jpclett.5b01965
    • Rights:
      info:eu-repo/semantics/OpenAccess
    • الرقم المعرف:
      edsbas.8233B6F3