Effects of finite-size ions and relative permittivity in a nanopore model of a polymer electrolyte membrane

Electrochimica Acta

Volumn 120, Issue , 2014, Pages 429-438

  Berg, P ^a   Benjaminsen, B E ^a  

^a NORWEGIAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Norway)

Author keywords

Conductivity; Poisson Nernst Planck equations; Polymer electrolyte membrane; Water drag

Indexed keywords

FINITE SIZE EFFECT; MEMBRANE PROPERTIES; PERMITTIVITY PROFILES; POISSON-BOLTZMANN EQUATIONS; POISSON-NERNST-PLANCK EQUATIONS; POLYMER ELECTROLYTE MEMBRANES; RELATIVE PERMITTIVITY; WATER-FILLED NANOPORES;

CONTINUUM MECHANICS; DRAG; ELECTRIC CONDUCTIVITY; PERMITTIVITY; POISSON DISTRIBUTION; POLYELECTROLYTES;

POLYMERS;

EID: 84892707533     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.electacta.2013.12.116     Document Type: Article

References (39)

1. X. Li Principles of Fuel Cells 2006 Taylor and Francis New York
2. M. Eikerling, A.A. Kornyshev, A.M. Kuznetsov, J. Ulstrup, and S. Walbran Mechanisms of proton conductance in polymer electrolyte membranes J. Phys. Chem. B 105 2001 3646
3. K.D. Kreuer, S.J. Paddison, E. Spohr, and M. Schuster Transport in proton conductors for fuel-cell applications: simulations, elementary reactions, and phenomenology Chem. Rev. 104 2004 4637
4. S.J. Paddison Proton conduction mechanisms at low degrees of hydration in sulfonic acid-based polymer electrolytes membranes Annu. Rev. Mater. Res. 33 2003 289
5. K.R. Mauritz, and R.B. Moore State of understanding of Nafion Chem. Rev. 104 2004 4535
6. W.Y. Hsu, and T.D. Gierke Ion transport and clustering in Nafion perfluorinated membranes J. Memb. Sci. 13 1983 307
7. K. Schmidt-Rohr, and Q. Chen Parallel cylindrical water nanochannels in Nafion fuel-cell membranes Nat. Mater. 7 2008 75
8. M. Eikerling, and P. Berg Poroelectroelastic theory of water sorption and swelling in polymer electrolyte membranes Soft Matter 7 2001 5976
9. E. Aleksandrova, R. Hiesgen, K.A. Friedrich, and E. Roduner Electrochemical atomic force microscopy study of proton conductivity in a Nafion membrane Phys. Chem. Chem. Phys. 9 2007 2735
10. Q. He, A. Kusoglu, I.T. Lucas, K. Clark, A.Z. Weber, and R. Kostecki Correlating humidity-dependent ionically conductive surface area with transport phenomena in proton-exchange membranes J. Phys. Chem. B 115 2011 11650
11. T.A. Zawodzinski, J. Davey, J. Valerio, and S. Gottesfeld The water content dependence of electro-osmotic drag in proton-conducting polymer electrolytes Electrochim. Acta 40 1995 297
12. M.Z. Bazant, M.S. Kilic, B.D. Storey, and A. Ajdari Towards an understanding of induced-charge electrokinetics at large applied voltages in concentrated solutions Adv. Colloid Interface Sci. 152 2009 48
13. M. Schmuck, and P. Berg Homogenization of a basic catalyst layer model for general pore geometries in fuel cells Appl. Math. Res. Express 2013 2013 57
14. A.P. Thompson Nonequilibrium molecular dynamics simulation of electro-osmotic flow in a charged nanopore J. Chem. Phys. 119 2003 7503
15. P. Berg, and J. Findlay Analytical solution of the Poisson-Nernst-Planck- Stokes equations in a cylindrical channel Proc. R. Soc. A 467 2011 3157
16. P. Berg, and K. Lapido Exact solution of an electro-osmotic flow problem in a cylindrical channel of polymer electrolyte membranes Proc. R. Soc. A 465 2009 2663
17. K. Bohinc, A. Iglic, T. Slivnik, and V. Kralj-Iglic Free energy of electric double layer: effect of ion size Elektrotehniski vestnik 68 2001 231
18. I. Borukhov, D. Andelman, and H. Orland Adsorption of large ions from an electrolyte solution: a modified Poisson-Boltzmann equation Electrochim. Acta 46 2000 221
19. I. Borukhov, D. Andelman, and H. Orland Steric effects in electrolytes: a modified Poisson-Boltzmann equation Phys. Rev. Lett. 79 1997 435
20. E. Gongadze, U. Van Rienen, and A. Iglič Generalized Stern models of the electric double layer considering the spatial variation of permittvity and finite size of ions in saturation regime Cell. Mol. Biol. Lett. 16 2011 576
21. E. Gongadze, U. van Rienen, V. Kralj-Iglič, and A. Iglič Langevin Poisson-Boltzmann equation: point-like ions and water dipoles near a charged surface Gen. Physiol. Biophys. 30 2011 130
22. I. Rubinstein Electro-diffusion of Ions 1990 Society for Industrial and Applied Mathematics Philadelphia
23. J.J. Bikerman Structure and capacity of electrical double layer Phil. Magazine Series (7) 33 1942 384
24. A. Iglič, E. Gongadze, and K. Bohinc Excluded volume effect and orientational ordering near charged surface in solution of ions and Langevin dipoles Bioelectrochemistry 79 2010 223
25. J.G. Kirkwood The dielectric polarization of polar liquids J. Chem. Phys. 7 1939 911
26. L. Onsager Electric moments of molecules in liquids J. Am. Chem. Soc. 58 1936 1486
27. M. Eikerling, Y.I. Kharkats, A.A. Kornyshev, and Y.M. Volfkovich Phenomenological theory of electro-osmotic effect and water management in polymer electrolyte proton-conducting membranes J. Electrochem. Soc. 145 1998 2684
28. K.O. Ladipo, P. Berg, S.-J. Kimmerle, and A. Novruzi Effects of radially dependent parameters on proton transport in polymer electrolyte membrane nanopores J. Chem. Phys. 134 2011 074103
29. J.B. Freund Electro-osmosis in a nanometer-scale channel studied by atomistic simulation J. Chem. Phys. 116 2002 2194
30. G. Karniadakis, A. Beskok, and N. Aluru Microflows and Nanoflows: Fundamentals and Simulation 2005 Springer New York
31. S.J. Paddison, G. Bender, K.D. Kreuer, N. Nicoloso, and T.A. Zawodzinski The microwave region of the dielectric spectrum of hydrated Nafion and other sulfonated membranes J. New Mat. Electrochem. Systems 3 2000 291
32. S.J. Paddison, D.W. Reagor, and T.A. Zawodzinski High frequency dielectric studies of hydrated Nafion J. Electroanal. Chem. 459 1998 91
33. R. Paul, and S.J. Paddison A statistical mechanical model for the calculation of the permittivity of water in hydrated polymer electrolyte membrane pores J. Chem. Phys. 115 2001 7762
34. M. Eigen, and E. Wicke The thermodynamics of electrolytes at higher concentration J. Phys. Chem. 58 1954 702
35. V. Kralj-Iglic, and A. Iglic A simple statistical mechanical approach to the free energy of the electric double layer including the excluded volume effect J. Phys. II France 6 1996 477
36. S. Kjelstrup, D. Bedeaux, E. Johanessen, and J. Gross Non-equilibrium Thermodynamics for Engineers 2010 World Scientific Singapore
37. R. Paul, and S.J. Paddison The phenomena of dielectric saturation in the water domains of polymer electrolyte membranes Solid State Ionics 168 2004 245
38. W. Dreyer, C. Guhlke, and R. Mueller Overcoming the shortcomings of the Nernst-Planck model Phys. Chem. Chem. Phys. 15 2013 7075
39. M.J. Cheah, I.G. Kevrekidis, and J. Benziger Effect of interfacial water transport resistance on coupled proton and water transport across Nafion J. Phys. Chem. B. 115 2011 10239