Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 132, Issue -, Pages 55-61Publisher
ELSEVIER
DOI: 10.1016/j.commatsci.2017.02.022
Keywords
Proton exchange membrane; Proton mobility; Thermal conductivity; Molecular dynamics simulation
Categories
Funding
- National Natural Science Foundation of China [U1407125]
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Fuel cell polymer membranes such as the Dow, Nafion and Aciplex membranes as the core of the proton exchange membrane fuel cell (PEMFC) play an important role in maintaining high intrinsic proton conductivity. For investigating the dynamic properties and thermal properties of fuel cell polymer membranes, the proton mobility and thermal conductivities of the Dow, Nafion and Aciplex membranes were calculated by using molecular dynamics (MD) simulations. Compared with the Dow and the Nafion membranes, the Aciplex membrane presented a better mobility of water molecules and hydronium ions at 350 K and it showed a better thermal property due to its side chain is long enough to form a highway of heat conduction. The results indicated that both the structure of side chain and temperature have effect on the dynamic properties and thermal properties of fuel cell polymer membranes. (C) 2017 Elsevier B. V. All rights reserved.
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