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Proton mobility and thermal conductivities of fuel cell polymer membranes: Molecular dynamics simulation
- Source :
- Computational Materials Science. 132:55-61
- Publication Year :
- 2017
- Publisher :
- Elsevier BV, 2017.
-
Abstract
- 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.
- Subjects :
- General Computer Science
Hydronium
Synthetic membrane
General Physics and Astronomy
Proton exchange membrane fuel cell
02 engineering and technology
General Chemistry
010402 general chemistry
021001 nanoscience & nanotechnology
Thermal conduction
01 natural sciences
0104 chemical sciences
Computational Mathematics
chemistry.chemical_compound
Membrane
Thermal conductivity
chemistry
Chemical engineering
Mechanics of Materials
Nafion
Polymer chemistry
Side chain
General Materials Science
0210 nano-technology
Subjects
Details
- ISSN :
- 09270256
- Volume :
- 132
- Database :
- OpenAIRE
- Journal :
- Computational Materials Science
- Accession number :
- edsair.doi...........705e6312999c0598829fb1bba0d8dbd4