Theoretical studies of proton transfer in water and model polymer electrolyte systems

Industrial and Engineering Chemistry Research

Volumn 40, Issue 22, 2001, Pages 4789-4800

  Li, Tao ^a   Wlaschin, Aaron ^a   Balbuena, Perla B ^a  

^a University of South Carolina   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRIC FIELDS; HYDROGEN BONDS; MOLECULAR DYNAMICS; NEGATIVE IONS; PROTONS; WATER;

PROTON TRANSFER; SOLVATION;

POLYELECTROLYTES;

ELECTROLYTE; FLUOROSULFONIC ACID; HYDROGEN; HYDRONIUM ION; NAFION; POLYMER; PROTON; SULFONIC ACID DERIVATIVE; UNCLASSIFIED DRUG; WATER;

ELECTROLYTE; POLYMER; WATER;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIPOLE; ELECTRIC FIELD; ELECTROLYTE TRANSPORT; GEOMETRY; HYDROGEN BOND; MEMBRANE MODEL; MOLECULAR DYNAMICS; MOLECULAR STABILITY; POLYMERIZATION; PROTON TRANSPORT; SIMULATION; SOLVATION; STRUCTURE ANALYSIS; THEORY; WATER TRANSPORT;

EID: 0035980310     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie010467y     Document Type: Article

References (7)

1. Heitner-Wirguin, C. Recent Advances in Perfluorinated Ionomer Membranes: Structure, Properties and Applications. J. Membr. Sci. 1996, 120, 1.
2. Verbrugge, M. W.; Hill, R. F. Analysis of Promising Perfluorosulfonic Acid Membranes for Fuel-cell Electrolytes. J. Electrochem. Soc. 1990, 137, 3770.
3. Schlick, S. Ionomers: Characterization, Theory and Applications; CRC Press: Boca Raton, FL, 1996.
4. Kreuer, K. D. On the Development of Proton Conducting Materials for Technological Applications. Solid State Ionics 1997, 97, 1.
5. James, P. J.; Elliott, J. A.; McMaster, T. J.; Newton, J. M.; Elliott, A. M. S.; Hanna, S.; Miles, M. J. Hydration of Nafion Studied by AFM and X-ray Scattering. J. Mater. Sci. 2000, 35, 5111.
6. Porat, Z.; Fryer, J. R.; Huxham, M.; Rubinstein, I. Electron Microscopy Investigation of the Microstructure of Nafion Films. J. Phys. Chem. 1995, 99, 4667.
7. Gierke, T. D.; Hsu, W. J. The Cluster-Network Model of Ion Clustering in Perfluorosulfonated Membranes; ACS Symposium Series No. 180; American Chemical Society: Washington, D.C., 1982.