Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymer

Journal of Computational Chemistry

Volumn 30, Issue 9, 2009, Pages 1361-1370

  Yan, Liuming ^a   Shao, Changle ^a   Ji, Xiaobo ^a  

^a SHANGHAI UNIVERSITY   (China)

Author keywords

Electroosmosis; Maxwellian distribution function; Molecular dynamics simulation; Sodium perfluorosulfonate electrolyte polymer; Velocity distribution function

Indexed keywords

APPLIED ELECTRIC FIELD; COORDINATION SHELLS; ELECTRO-OSMOTIC DRAG; MAXWELLIAN DISTRIBUTION FUNCTION; MAXWELLIAN VELOCITY DISTRIBUTIONS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; PEAK SHIFTING; SHIFTED MAXWELLIAN DISTRIBUTION; SIMULATION RESULT; SODIUM CATIONS; SULFONATE ANION; TEMPERATURE PARAMETERS; TRANSPORT VELOCITY; VELOCITY COMPONENTS; WATER MOLECULE;

DRAG; DRAG COEFFICIENT; DYNAMICS; ELECTRIC FIELD MEASUREMENT; ELECTRIC FIELDS; ELECTROLYSIS; ELECTROLYTES; ELECTROOSMOSIS; FUNCTION EVALUATION; HYDRATES; HYDRATION; KINETIC THEORY OF GASES; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULES; PLASMAS; POLYMERS; POSITIVE IONS; VELOCITY; VELOCITY CONTROL; VELOCITY DISTRIBUTION;

DISTRIBUTION FUNCTIONS;

ELECTROLYTE; FLUOROCARBON; PERFLUOROSULFONIC ACID; POLYMER; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTROOSMOSIS; TEMPERATURE;

COMPUTER SIMULATION; ELECTROLYTES; ELECTROOSMOSIS; FLUOROCARBON POLYMERS; MODELS, CHEMICAL; POLYMERS; TEMPERATURE; WATER;

EID: 67650128441     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21157     Document Type: Article

References (51)

1. Harrison, D. J.; Fluri, K.; Seiler, K.; Fan, Z.; Effenhauser, C. S.; Manz, A. Science 1993, 261, 895.
2. Kuo, T. C.; Cannon, D. M.; Chen, Y.; Tulock, J. J.; Shannon, M. A.; Sweedler, J. V.; Bohn, P. W. Anal Chem 2003, 75, 1861.
3. Pivovar, B. S. Polymer 2006, 47, 4194.
4. Okada, T.; Xie, G.; Meeg, M. Electrochim Acta 1998, 43, 2141.
5. Buie, C. R.; Posner, J. D.; Fabian, T.; Cha, S.-W.; Kim, D.; Prinz, F. B.; Eaton, J. K.; Santiago, J. G. J Power Sources 2006, 161, 191.
6. Slater, G. W.; Desruisseaux, C.; Hubert, S. J.; Mercier, J.-F.; Labrie, J.; Boileau, J.; Tessier, F.; Pépin, M. P. Electrophoresis 2000, 21, 3873.
7. Probstein, R. F. Physicochemical Hydrodynamics; Wiley: New York, 1994.
8. Helmholtz, H. Weid Ann 1879, 7, 337.
9. Lamb, H. Philos Mag 1888, 5, 52.
10. Perrin, J. J Chim Phys 1904, 2, 601.
11. Smoluchowski, M. Handbuck der Elektrizität und des Magnetismus, Vol. 2; Barth: Leipzig, 1914.
12. Breslau, B. R.; Miller, I. F. Ind Eng Chem Fundam 1971, 10, 554.
13. Schaetzel, P.; Nguyen, Q. T.; Riffault, B. J Membr Sci 2004, 240, 25.
14. Nilson, R. H.; Griffiths, S. K. J Chem Phys 2006, 125, 164510.
15. Bath, B. D.; Lee, R. D.; White, H. S.; Scott, E. R. Anal Chem 1998, 70, 1047.
16. Karimi, G.; Li, X. J Power Sources 2005, 140, 1.
17. Barragán, V. M.; Ruíz-Bauzá, C.; Villaluenga, J. P. G.; Seoane, B. J Colloid Interface Sci 2004, 277, 176.
18. Jinnouchi, R.; Yamada, H.; Morimoto, Y. "Measurement of Electroosmotic Drag Coefficient of Nafion Using a Concentration Cell," Presented at 14th International Conference on the Properties of Water and Steam, Kyoto, 2004.
19. Dzubiella, J.; Hansen, J. P. J Chem Phys 2005, 122, 234706.
20. Dzubiella, J.; Allen, R. J.; Hansen, J. P. J Chem Phys 2004, 120, 5001.
21. Kim, D.; Darve, E. Phys Rev E 2006, 73, 051203.
22. Freund, J. B. J Chem Phys 2002, 116, 2194.
23. Crozier, P. S.; Rowley, R. L.; Holladay, N. B.; Henderson, D.; Busath, D. D. Phys Rev Lett 2001, 86, 2467.
24. Qiao, R.; Aluru, N. R. Phys Rev Lett 2004, 92, 198301.
25. Fu, L.-M.; Yang, R.-J. Electrophoresis 2003, 24, 1253.
26. Yan, L.; Ji, X.; Lu, W. J Phys Chem B 2008, 112, 5602.
27. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J Chem Phys 1983, 79, 926.
28. Yan, L.; Zhu, S.; Ji, X.; Lu, W. J Phys Chem B 2007, 111, 6357.
29. Zawodzinski, T. A.; Davey, J.; Valerio, J.; Gottesfeld, S. Electrochimica Acta 1995, 40, 297.
30. Moilanen, D. E.; Piletic, I. R.; Fayer, M. D. J Phys Chem C 2007, 111, 8884.
31. Petersen, M. K.; Hatt, A. J.; Voth, G. A. J Phys Chem B 2008, 112, 7754.
32. Koneshan, S.; Rasaiah, J. C. J Chem Phys 2000, 113, 8125.
33. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon Press: Oxford, 1990.
34. Smith, W.; Leslie, M.; Forester, T. R. Computer Code DL-POLY-2.14: CCLRC; Daresbury Laboratory: Daresbury, England, 2003.
35. Nosé, S. Mol Phys 1984, 52, 255.
36. Nosé, S. J Chem Phys 1984, 81, 511.
37. Verlet, L. Phys Rev 1967, 159, 98.
38. Mohazzabi, P.; Helvey, L. S.; McCumber, J. Phys A 2002, 316, 314.
39. Lishchuk, S. V.; Fischer, J. Int J Therm Sci 2001, 40, 717.
40. Blake, N. P.; Petersen, M. K.; Voth, G. A.; Metiu, H. J Phys Chem B 2005, 109, 24244.
41. Vishnyakov, A.; Neimark, A. V. J Phys Chem B 2001, 105, 9586.
42. Shirts, R. B.; Burt, S. R.; Johnson, A. M. J Chem Phys 2006, 125, 164102.
43. Shirts, R. B.; Shirts, M. R. J Chem Phys 2002, 117, 5564.
44. Green, M. S. J Chem Phys 1954, 22, 398.
45. Green, M. S. J Chem Phys 1952, 20, 1281.
46. Kubo, R. J Phys Soc Jpn 1957, 12, 570.
47. Yan, L. M.; Yan, Q. L.; Liu, H. L.; Rong, Z. M.; Hu, Y. Chem J Chin Univ 1997, 18, 2026.
48. Zawodzinski, T. A.; Derouin, C.; Radzinski, S.; Sherman, R. J.; Smith, V. T.; Springer, T. E.; Gottesfeld, S. J Electrochem Soc 1993, 140, 1401.
49. Guillot, B. J Mol Liq 2002, 101, 219.
50. Harpham, M. R.; Ladanyi, B. M.; Levinger, N. E.; Herwig, K. W. J Chem Phys 2004, 121, 7855.
51. Moilanen, D. E.; Spry, D. B.; Fayer, M. D. Langmuir 2008, 24, 3690.