A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide
Author(s)
Correa, Andrea; De Nicola, Antonio; Scherillo, Giuseppe; Loianno, Valerio; Mallamace, Domenico; Mallamace, Francesco; Ito, Hiroshi; Musto, Pellegrino; Mensitieri, Giuseppe; ... Show more Show less
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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.
Date issued
2021-03-12Department
Massachusetts Institute of Technology. Department of Nuclear Science and EngineeringPublisher
Multidisciplinary Digital Publishing Institute
Citation
International Journal of Molecular Sciences 22 (6): 2908 (2021)
Version: Final published version