Research Website of David Keffer at the University of Tennessee

The University of Tennessee

Computational Materials Research Group

Nanostructure of Hydrated Proton Exchange Membranes for Hydrogen-based Fuel Cells These images were created by members of the Hydrogen Research Group in the Computational Materials Research Group in the Department of Chemical Engineering at The University of Tennessee, Knoxville. This team has included Dr. David Keffer (UT ChE), Dr. Stephen Paddison (UT ChE), Dr. Brian Edwards (UT ChE), Dr. Shengting Cui (UT ChE), Dr. Bill Steele (ORNL/UT ChE), Myvizhi Esai Selvan (Ph.D. student at UT ChE), Junwu Liu (Ph.D. student at UT ChE), Costas Tsouris (ORNL/Georgia Tech) & Doug Aaron (Ph.D. student at Georgia Tech). Most of the work on this page was done by Myvizhi and Shengting. This work is funded by the U.S. Department of Energy. For further discussion of these images, refer to the published articles, listed here. The JavaScript code JSMol is used to view and interact with these structures. Therefore, a modern browser capable of running JavaScript is required. In 2014, Eleanor Leffler updated these pages from Chime to JSMol.
Nafion^® single Nafion monomer bulk hydrated Nafion membrane hydrated Nafion membrane/vapor interface hydrated Nafion membrane/vapor/graphite interface hydrated Nafion membrane/vapor/platinum interface hydrated Nafion membrane/vapor/graphite/platinum interface Short-Side Chain (SSC) PerFluorinated Sulfonic Acid (PFSA) single SSC monomer bulk hydrated SSC membrane
	single Nafion monomer
	single Nafion monomer (DP = 3, equivalent weight = 1144) single Nafion monomer (DP = 15, equivalent weight = 1144) single Nafion monomer (DP = 15, equivalent weight = 944) single Nafion monomer (DP = 15, equivalent weight = 844) single Nafion monomer (DP = 15, equivalent weight = 744)
	bulk hydrated Nafion membrane (DP = 3, EW = 1144)
	5% Hydrated Nafion (l = 4.44 H₂O/SO₃^-) Nafion Skeleton Water Channel Network Still Image Gallery
	10% Hydrated Nafion (l = 6.42 H₂O/SO₃^-) Nafion Skeleton Water Channel Network Still Image Gallery
	15% Hydrated Nafion (l = 9.63 H₂O/SO₃^-) Nafion Skeleton Water Channel Network Still Image Gallery
	20% Hydrated Nafion (l = 12.83 H₂O/SO₃^-) Nafion Skeleton Water Channel Network Still Image Gallery
	bulk hydrated Nafion membrane (DP = 15, EW = 1144)
	Hydrated Nafion (l = 3 H₂O/SO₃^-)
	Hydrated Nafion (l = 6 H₂O/SO₃^-) Hydrated Nafion (l = 6 H₂O/SO₃^-, water and S only)
	Hydrated Nafion (l = 9 H₂O/SO₃^-)
	Hydrated Nafion (l = 15 H₂O/SO₃^-)
	Hydrated Nafion (l = 22 H₂O/SO₃^-) Hydrated Nafion (l = 22 H₂O/SO₃^-, water and S only)
	bulk hydrated Nafion membrane (DP = 15, EW = 944)
	Hydrated Nafion (l = 3 H₂O/SO₃^-)
	Hydrated Nafion (l = 6 H₂O/SO₃^-)
	Hydrated Nafion (l = 9 H₂O/SO₃^-)
	Hydrated Nafion (l = 15 H₂O/SO₃^-)
	Hydrated Nafion (l = 22 H₂O/SO₃^-)
	bulk hydrated Nafion membrane (DP = 15, EW = 844)
	Hydrated Nafion (l = 3 H₂O/SO₃^-)
	Hydrated Nafion (l = 6 H₂O/SO₃^-) Hydrated Nafion (l = 6 H₂O/SO₃^-, water and S only)
	Hydrated Nafion (l = 9 H₂O/SO₃^-)
	Hydrated Nafion (l = 15 H₂O/SO₃^-)
	Hydrated Nafion (l = 22 H₂O/SO₃^-) Hydrated Nafion (l = 22 H₂O/SO₃^-, water and S only)
	bulk hydrated Nafion membrane (DP = 15, EW = 744)
	Hydrated Nafion (l = 3 H₂O/SO₃^-)
	Hydrated Nafion (l = 6 H₂O/SO₃^-)
	Hydrated Nafion (l = 9 H₂O/SO₃^-)
	Hydrated Nafion (l = 15 H₂O/SO₃^-)
	Hydrated Nafion (l = 22 H₂O/SO₃^-)
	hydrated Nafion membrane/vapor interface
	5% Hydrated Nafion/Vapor Interface (l = 4.44 H₂O/SO₃^-) Still Image Gallery
	10% Hydrated Nafion/Vapor Interface (l = 6.42 H₂O/SO₃^-) Still Image Gallery
	15% Hydrated Nafion/Vapor Interface (l = 9.63 H₂O/SO₃^-) Still Image Gallery
	20% Hydrated Nafion/Vapor Interface (l = 12.83 H₂O/SO₃^-) Still Image Gallery
	hydrated Nafion membrane/vapor/graphite interface
	5% Hydrated Nafion/vapor/graphite interface (l = 4.44 H₂O/SO₃^-)
	10% Hydrated Nafion/vapor/graphite interface (l = 6.42 H₂O/SO₃^-)
	15% Hydrated Nafion/vapor/graphite interface (l = 9.63 H₂O/SO₃^-)
	20% Hydrated Nafion/vapor/graphite interface (l = 12.83 H₂O/SO₃^-)
	hydrated Nafion membrane/vapor/platinum interface
	5% Hydrated Nafion/vapor/platinum interface (l = 4.44 H₂O/SO₃^-)
	10% Hydrated Nafion/vapor/platinum interface (l = 6.42 H₂O/SO₃^-)
	15% Hydrated Nafion/vapor/platinum interface (l = 9.63 H₂O/SO₃^-)
	20% Hydrated Nafion/vapor/platinum interface (l = 12.83 H₂O/SO₃^-)
	hydrated Nafion membrane/vapor/graphite/platinum interface
	5% Hydrated Nafion/vapor/platinum interface with no gap 5% Hydrated Nafion/vapor/graphite/platinum interface with a gap of 7.4 Å 5% Hydrated Nafion/vapor/graphite/platinum interface with a gap of 14.8 Å
	20% Hydrated Nafion/vapor/platinum interface with no gap 20% Hydrated Nafion/vapor/graphite/platinum interface with a gap of 7.4 Å 20% Hydrated Nafion/vapor/graphite/platinum interface with a gap of 14.8 Å
	single SSC chains
	single SSC chain (DP = 3, EW = 978) single SSC chain (DP = 15, EW = 978) single SSC chain (DP = 15, EW = 878) single SSC chain (DP = 15, EW = 778) single SSC chain (DP = 15, EW = 678)
	bulk hydrated SSC membrane (DP = 3, EW = 978)
	5% Hydrated SSC (l = 4.44 H₂O/SO₃^-) Water Channel Network
	10% Hydrated SSC (l = 6.42 H₂O/SO₃^-) Water Channel Network
	15% Hydrated SSC (l = 9.63 H₂O/SO₃^-) Water Channel Network
	20% Hydrated SSC (l = 12.83 H₂O/SO₃^-) Water Channel Network
	bulk hydrated SSC membrane (DP = 15, EW = 978)
	Hydrated SSC (l = 3 H₂O/SO₃^-)
	Hydrated SSC (l = 6 H₂O/SO₃^-) Hydrated SSC (l = 6 H₂O/SO₃^-, water and S only)
	Hydrated SSC (l = 9 H₂O/SO₃^-)
	Hydrated SSC (l = 15 H₂O/SO₃^-)
	Hydrated SSC (l = 22 H₂O/SO₃^-) Hydrated SSC (l = 22 H₂O/SO₃^-, water and S only)
	bulk hydrated SSC membrane (DP = 15, EW = 878)
	Hydrated SSC (l = 3 H₂O/SO₃^-)
	Hydrated SSC (l = 6 H₂O/SO₃^-)
	Hydrated SSC (l = 9 H₂O/SO₃^-)
	Hydrated SSC (l = 15 H₂O/SO₃^-)
	Hydrated SSC (l = 22 H₂O/SO₃^-)
	bulk hydrated SSC membrane (DP = 15, EW = 778)
	Hydrated SSC (l = 3 H₂O/SO₃^-)
	Hydrated SSC (l = 6 H₂O/SO₃^-)
	Hydrated SSC (l = 9 H₂O/SO₃^-)
	Hydrated SSC (l = 15 H₂O/SO₃^-)
	Hydrated SSC (l = 22 H₂O/SO₃^-)
	bulk hydrated SSC membrane (DP = 15, EW = 678)
	Hydrated SSC (l = 3 H₂O/SO₃^-)
	Hydrated SSC (l = 6 H₂O/SO₃^-) Hydrated SSC (l = 6 H₂O/SO₃^-, water and S only)
	Hydrated SSC (l = 9 H₂O/SO₃^-)
	Hydrated SSC (l = 15 H₂O/SO₃^-)
	Hydrated SSC (l = 22 H₂O/SO₃^-) Hydrated SSC (l = 22 H₂O/SO₃^-, water only)

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