Atomistic simulation of nafion membrane. 2. dynamics of water molecules and hydronium ions
Article Abstract:
A detailed and comprehensive analysis of the dynamics of water molecules and hydronium ions in hydrated Nafion are conducted using classical molecular dynamics simulations with the DREIDING force field. Results provide insights into slow proton dynamics observed in neutron scattering experiments and are consistent with the Gebel model of Nafion structure.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Temperature-dependent dynamics of water confined in Nafion membranes
Article Abstract:
Neutron scattering spectroscopy is used to examine the dynamical behavior of water absorbed in Nafion at low hydration level as a function of temperature in the range 200-300 K. The results have emphasized the presence of a dynamical transition at around 260 K, which can be related to the temperature behavior of proton conductivity.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Neutron scattering study of the dynamics of hydronium Ion in (H3O)Zr2(PO4)3 nasicon across the order-disorder transition
Article Abstract:
Neutron incoherent scattering measurement were performed on (H3O)Zr2(PO4)3 nasicon by the quasi-elastic spectrometer IN13(ILL, Grenoble), to characterize the slow proton dynamics of the H3O (super +1) ion in the compound. Results of the elastic scans vs. momentum transfer and temperature are analyzed and discussed.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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