Nanophase-Segregation and Transport in Nafion 117 from Molecular Dynamics Simulations: Effect of Monomeric Sequence

Journal of Physical Chemistry B

Volumn 108, Issue 10, 2004, Pages 3149-3157

  Jang, Seung Soon ^a   Molinero, Valeria ^a   Çaǧin, Tahir ^a   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ELECTRIC CONDUCTIVITY; FUEL CELLS; HYDRATION; HYDROPHILICITY; INTERFACES (MATERIALS); MATHEMATICAL MODELS; MOLECULAR DYNAMICS; OPTIMIZATION; POLYMERIC MEMBRANES; POLYMERS; SEGREGATION (METALLOGRAPHY); X RAY SCATTERING;

NAFION 117; POLYMER CHAINS;

POLYELECTROLYTES;

EID: 1842584923     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp036842c     Document Type: Article

References (95)

1. Carrette, L.; Friedrich, K. A.; Stimming, U. ChemPhysChem 2000, 1, 162.
2. Eisenberg, A., Yeager, H. L., Eds.; Perfluorinated Ionomer Membranes; American Chemical Society: Washington, DC, 1982.
3. Yeager, H. L.; Steck, A. Anal. Chem. 1979, 51, 862.
4. Yeo, S. C.; Eisenberg, A. J. Appl. Polym. Sci. 1977, 21, 875.
5. Eisenberg, A.; King, M. In Polymer Physics; Stein, R. S., Ed.; Academic Press: New York, 1977.
6. Scibona, G.; Fabiani, C.; Scuppa, B. J. Membr. Sci. 1983, 16, 37.
7. Eisenberg, A. Macromolecules 1970, 3, 147.
8. Falk, M. Can. J. Chem. 1980, 58, 1495.
9. Duplessix, R.; Escoubes, M.; Rodmacq, B.; Volino, F.; Roche, E.; Eisenberg, A.; Peneri, M. In Water in Polymer, American Chemical Soceity: Washington, DC, 1980.
10. Rodmacq, B.; Coey, J. M.; Escoubes, M.; Roche, E.; Duplessix, R.; Eisenberg, A.; Pineri, M. In Water in Polymers; Rowland, S. P., Ed.; American Chemical Soceity: Washington, DC, 1980.
11. Gierke, T. D.; Munn, G. E.; Wilson, F. C. J. Polym. Sci.: Polym. Phys. Ed. 1981, 19, 1687.
12. Hsu, W. Y.; Gierke, T. D. J. Membr. Sci. 1983, 13, 307.
13. Yeager, H. L.; Steck, A. J. Electrochem. Soc. 1981, 128, 1880.
14. Verbrugge, M. W.; Hill, R. F. J. Electrochem. Soc. 1990, 137, 886.
15. Gebel, G. Polymer 2000, 41, 5829.
16. James, P. J.; Elliott, J. A.; McMaster, T. J.; Miles, J. M. J. Mater. Sci. 2000, 35, 5111.
17. James, P. J.; McMaster, T. J.; Newton, J. M.; Miles, M. J. Polymer 2000, 41, 4223.
18. Kreuer, K. D. J. Membr. Sci. 2001, 185, 29.
19. Haubold, H.-G.; Vad, T.; Jungbluth, H.; Hiller, P. Electrochim. Acta 2001, 46, 1559.
20. Rollet, A.-L.; Gebel, G.; Simonin, J.-P.; Turq, P. J. Polym. Sci.: Part B: Polym. Phys. 2001, 39, 548.
21. Rollet, A.-L.; Diat, O.; Gebel, G. J. Phys. Chem. B 2002, 106, 3033.
22. Young, S. K.; Trevino, S. F.; Tan, N. C. B. J. Polym. Sci.: Part B: Polym. Phys. 2002, 40, 387.
23. Tovbin, Y. K.; D'yakov, Y. A.; Vasutkin, N. F. Russ. J. Phys. Chem. 1993, 67, 2122.
24. D'yakov, Y. A.; Tovbin, Y. K. Russ. Chem. Bull. 1995, 44, 1233.
25. Vishnyakov, A.; Neimark, A. V. J. Phys. Chem. B 2001, 105, 7830.
26. Mauritz, K. A.; Hora, C. J.; Hopfinger, A. J. In Ions In Polymers; Eisenberg, A., Ed.; American Chemical Society: Washington, DC, 1980.
27. Datye, V. K.; Taylor, P. L.; Hopfinger, A. J. Macromolecules 1984, 17, 1704.
28. Mauritz, K. A.; Rogers, C. E. Macromolecules 1985, 18, 483.
29. Dreyfus, B. Macromolecules 1985, 18, 284.
30. Eikerling, M.; Kornyshev, A. A.; Stimming, U. J. Phys. Chem. B 1997, 101, 10807.
31. Tovbin, Y. K. Russ. J. Phys. Chem. 1968, 72, 55.
32. Tovbin, Y. K.; Vasyatkin, N. F. Colloid Surf. A 1999, 158, 385.
33. Verbrugge, M. W.; Hill, R. F. J. Electrochem. Soc. 1990, 137, 3770.
34. Verbrugge, M. W.; Hill, R. F. J. Electrochem. Soc. 1990, 137, 893.
35. Verbrugge, M. W.; Hill, R. F. J. Electrochem. Soc. 1990, 137, 1131.
36. Zawodzinski, T. A.; Neeman, M.; Sillerud, L. O.; Gottesfeld, S. J. Phys. Chem. 1991, 95, 6040.
37. Zawodzinski, T. A.; Derouin, C.; Radzinski, S.; Sherman, R. J.; Smith, V. T.; Springer, T. E.; Gottesfeld, S. J. Electrochem. Soc. 1993, 140, 1041.
38. Zawodzinski, T. A.; Springer, T. E.; Davey, J.; Jestel, R.; Lopez, C.; Valerie, J.; Gottesfeld, S. J. Electrochem. Soc. 1993, 140, 1981.
39. Kreuer, K. D. Solid-State Ionics 2000, 136-137, 149.
40. Paddison, S. J.; Paul, R.; Zawodzinski, T. A. J. Electrochem. Soc. 2000, 147, 617.
41. Paddison, S. J.; Paul, R.; T. A. Zawodzinski, J. J. Chem. Phys. 2001, 115, 7153.
42. Paul, R.; Paddison, S. J. J. Chem. Phys. 2001, 115, 7762.
43. Carlson, D. P. U.S. Patent No. 3,528,954, Du Pont, 1970.
44. Kirsh, Y. E.; Smirnov, S. A.; popkov, Y. M.; Timashev, S. F. Russ. Chem. Rev. 1990, 59, 560.
45. Odian, G. Principles of Polymerization; John Wiley & Sons: New York, 1991.
46. Din, X.-D.; Michaelides, E. E. AIChE J. 1998, 44, 35.
47. Elliott, J. A.; Hanna, S.; Elliott, A. M. S.; Cooley, G. E. Phys. Chem. Chem. Phys. 1999, 1, 4855.
48. Vishnyakov, A.; Neimark, A. V. J. Phys. Chem. B 2000, 104, 4471.
49. Vishnyakov, A.; Neimark, A. V. J. Phys. Chem. B 2001, 105, 9586.
50. Jinnouchi, R.; Okazaki, K. J. Electrochem. Soc. 2003, 150, E66.
51. Moore, R. B.; Martin, C. R. Macromolecules 1988, 21, 1334-1339.
52. Timashev, S. F. Physical chemistry of membrane processes; Ellis Horwood: New York, 1991.
53. Laporta, M.; Pegoraro, M.; Zanderighi, L. Phys. Chem. Chem. Phys. 1999, 1, 4619.
54. Koenig, J. L. Chemical Microstructre of Polymer Chains: John Wiley & Sons: New York, 1980.
55. Cerius2 Modeling Environment, Release 4.0; Accelrys Inc.: San Diego. CA, 1999.
56. Gruger, A.; Regis, A.; Schmatko, T.; Colomban, P. Vibr. Spectrosc. 2001, 26, 215.
57. Takamatsu, T.; Eisenberg, A. J. Appl. Polym. Sci. 1979, 24, 2221.
58. Morris, D. R.; Sun, X. J. Appl. Polym. Sci. 1993, 50, 1445.
59. Nose, S.; Klein, M. L. J. Chem. Phys. 1983, 78, 6928-6939.
60. Nose, S. J. Chem. Phys. 1984, 81, 511-519.
61. Nose, S. Mol. Phys. 1984, 52, 255-268.
62. Nose, S. Mol Phys. 1986, 57, 187-191.
63. Plimpton, S. J. J. Comput. Phys. 1995, 117, 1.
64. Plimpton, S. J.; Pollock, R.; Stevens, M. In the Eighth SIAM Conference on Parallel Processing for Scientific Computing: Minneapolis, 1997.
65. Verlet, L. Phys. Rev. 1967, 159, 98.
66. Hockney, R. W.; Eastwood, J. W. Computer simulation using particles; McGraw-Hill International Book Co.: New York, 1981.
67. Mayo, S. L.; Olafson, B. D.; Goddard, W. A. J. Phys. Chem. 1990, 94, 8897.
68. Li, T.; Wlaschin, A.; Balbuena, P. B. Ind. Eng. Chem. Res. 2001, 40, 4789.
69. Jang, S. S.; Blanco, M.; Goddard, W. A.; Caldwell, G.; Ross, R. B. Macromolecules 2003, 36, 5331.
70. Levitt, M.; Hirshberg, M.; Sharon, R.; Laidig, K. E.; Daggett, V. J. Phys. Chem. B 1997, 101, 5051.
71. Starkweather, H. W. Macromolecules 1982, 15, 320.
72. Moore, R. B.; Martin, C. R. Macromolecules 1989, 22, 3594.
73. Porat, Z.; Fryer, J. R.; Huxham, M.; Rubinstein, I. J. Phys. Chem. 1995, 99, 4667.
74. Fried, H.; Binder, K. J. Chem. Phys. 1991, 94, 8349.
75. Molina, L. A.; Rodriguez, A. L.; Freire, J. J. Macromolecules 1994, 27, 1160.
76. Molina, L. A.; Freire, J. J. Macromolecules 1995, 28, 2705.
77. Hoffmann, A.; Sommer, J.-U.; Blumen, A. J. Chem. Phys. 1997, 106, 6709.
78. Hoffmann, A.; Sommer, J.-U.; Blumen, A. J. Chem. Phys. 1997, 107, 7559.
79. Jo, W. H.; Jang, S. S. J. Chem. Phys. 1999, 111, 1712.
80. Binder, K. Colloid Polym. Sci. 1987, 265, 273.
81. Sariban, A.; Binder, K. J. Chem. Phys. 1987, 86, 5859.
82. Sariban, A.; Binder, K. Colloid Polym. Sci. 1987, 265, 424.
83. Sariban, A.; Binder, K. Colloid Polym. Sci. 1988, 266, 389.
84. Sariban, A.; Binder, K. Colloid Polym. Sci. 1989, 267, 469.
85. Chakrabarti, A.; Toral, R.; Gunton, J. D.; Muthukumar, M. J. Chem. Phys. 1990, 92, 6899.
86. Sariban, A.; Binder, K. Macromolecules 1991, 24, 578.
87. Brown, G.; Chakrabarti, A. Phys. Rev. E 1993, 48, 3705.
88. Brown, G.; Chakrabarti, A. J. Chem. Phys. 1993, 98, 2451.
89. Jo, W. H.; Kim, S. H. Macromolecules 1996, 29, 7204.
90. Jo, W. H.; Kim, J. G.; Jang, S. S.; Youk, J. H.; Lee, S. C. Macromolecules 1999, 32, 1679.
91. Schuster, M.; Kreuer, K. D.; Maier, J. In 14th international conference on solid-state ionics: Monterey, USA, 2003; p 395.
92. Paddison, S. J.; Paul, R.; Kreuer, K.-D. Phys. Chem. Chem. Phys. 2002, 4, 1151.
93. Okada, T.; Xie, G.; Meeg, M. Electrochim. Acta 1998, 14, 2141.
94. Zawodzinski, T. A.; Springer, T. E.; Davey, J.; Jestel, R.; Lopez, C.; Valerie, J.; Gottesfeld, S. Electrochim. Acta 1995, 40, 297.
95. Kreuer, K. D. Solid-State Ionics 1997, 97, 1.