A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide
Name
ijms-22-02908-v2.pdf
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2.74 MB
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Checksum (MD5)
8722b1a3870fa3ea350caead8e6ff633
Author(s)
Correa, Andrea
De Nicola, Antonio
Scherillo, Giuseppe
Loianno, Valerio
Mallamace, Domenico
Mallamace, Francesco
Ito, Hiroshi
Musto, Pellegrino
Mensitieri, Giuseppe
Date Issued
March 12, 2021
Publisher
Multidisciplinary Digital Publishing Institute
Citation
International Journal of Molecular Sciences 22 (6): 2908 (2021)
Version
Final published version
Abstract
The diffusion process of water molecules within a polyetherimide (PEI) glassy matrix has been analyzed by combining the experimental analysis of water sorption kinetics performed by FTIR spectroscopy with theoretical information gathered from Molecular Dynamics simulations and with the expression of water chemical potential provided by a non-equilibrium lattice fluid model able to describe the thermodynamics of glassy polymers. This approach allowed us to construct a convincing description of the diffusion mechanism of water in PEI providing molecular details of the process related to the effects of the cross- and self-hydrogen bonding established in the system on the dynamics of water mass transport.
MIT Department
Massachusetts Institute of Technology. Department of Nuclear Science and Engineering
Terms of Use
Creative Commons Attribution
Persistent DSpace Link
DOI of Published Version
https://doi.org/10.3390/ijms22062908
