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Article

A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide

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Department of Chemical Sciences, University of Naples Federico II, Via Cintia, Complesso Monte S. Angelo, 80126 Napoli, Italy
2
Graduate School of Organic Materials Science, Yamagata University, 4-3-16 Jonan, Yonezawa, Yamagata 992-8510, Japan
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Department of Chemical, Materials and Production Engineering, University of Naples Federico II, Piazzale Tecchio 80, 80125 Naples, Italy
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Departments of ChiBioFarAm and MIFT-Section of Industrial Chemistry, University of Messina, CASPE-INSTM, V.le F. Stagno d’Alcontres 31, 98166 Messina, Italy
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Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
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Institute on Polymers, Composites and Biomaterials, National Research Council of Italy, via Campi Flegrei 34, 80078 Pozzuoli, Naples, Italy
*
Authors to whom correspondence should be addressed.
Academic Editor: Daniel A. Boese
Int. J. Mol. Sci. 2021, 22(6), 2908; https://doi.org/10.3390/ijms22062908
Received: 18 February 2021 / Revised: 8 March 2021 / Accepted: 9 March 2021 / Published: 12 March 2021
(This article belongs to the Special Issue From Molecules to Colloids: Recent Advances in Their Chemical Physics)
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. View Full-Text
Keywords: water; polyetherimide; hydrogen bonding; diffusion; molecular dynamics water; polyetherimide; hydrogen bonding; diffusion; molecular dynamics
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MDPI and ACS Style

Correa, A.; De Nicola, A.; Scherillo, G.; Loianno, V.; Mallamace, D.; Mallamace, F.; Ito, H.; Musto, P.; Mensitieri, G. A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide. Int. J. Mol. Sci. 2021, 22, 2908. https://doi.org/10.3390/ijms22062908

AMA Style

Correa A, De Nicola A, Scherillo G, Loianno V, Mallamace D, Mallamace F, Ito H, Musto P, Mensitieri G. A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide. International Journal of Molecular Sciences. 2021; 22(6):2908. https://doi.org/10.3390/ijms22062908

Chicago/Turabian Style

Correa, Andrea, Antonio De Nicola, Giuseppe Scherillo, Valerio Loianno, Domenico Mallamace, Francesco Mallamace, Hiroshi Ito, Pellegrino Musto, and Giuseppe Mensitieri. 2021. "A Molecular Interpretation of the Dynamics of Diffusive Mass Transport of Water within a Glassy Polyetherimide" International Journal of Molecular Sciences 22, no. 6: 2908. https://doi.org/10.3390/ijms22062908

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