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Volumn 26, Issue 17, 2010, Pages 14308-14315

Mesoscale modeling of hydrated morphologies of 3m perfluorosulfonic acid-based fuel cell electrolytes

Author keywords

[No Author keywords available]

Indexed keywords

BRAGG SPACING; CRYSTALLINITIES; DISSIPATIVE PARTICLE DYNAMICS; EQUIVALENT WEIGHT; FUEL CELL ELECTROLYTES; HYDRATION LEVELS; ION EXCHANGE CAPACITY; MESOSCALE MODELING; MORPHOLOGY CHANGES; PERFLUOROSULFONIC ACID; PFSA MEMBRANES; QUANTITATIVE ANALYSIS; RADIAL DISTRIBUTION FUNCTIONS; SHORT SIDE CHAINS; SIDE CHAINS; WATER CLUSTER; WATER DISTRIBUTIONS; WATER UPTAKE;

EID: 77957952194     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la102358y     Document Type: Article
Times cited : (99)

References (50)
  • 1
    • 54249170230 scopus 로고    scopus 로고
    • Perfluorinated Ionic Polymers for PEFCs(Including Supported PFSA)
    • Scherer, G. G., Ed.; Advances inPolymer Science 215 Springer: New York
    • Yoshitake, M.; Watakabe, A. Perfluorinated Ionic Polymers for PEFCs(Including Supported PFSA) . In Fuel Cells 1; Scherer, G. G., Ed.; Advances inPolymer Science 215; Springer: New York, 2008; pp 127-155.
    • (2008) Fuel Cells , vol.1 , pp. 127-155
    • Yoshitake, M.1    Watakabe, A.2
  • 2
    • 33746600269 scopus 로고    scopus 로고
    • Proton exchange membranes for fuel cellapplications
    • Hamrock, S. J.; Yandrasits, M. A. Proton exchange membranes for fuel cellapplications. Polym. Rev. 2006, 46, 219-244.
    • (2006) Polym. Rev. , vol.46 , pp. 219-244
    • Hamrock, S.J.1    Yandrasits, M.A.2
  • 4
    • 0141788334 scopus 로고    scopus 로고
    • Proton conduction mechanisms at low degrees of hydrationin sulfonic acid-based polymer electrolyte membranes
    • Paddison, S. J. Proton conduction mechanisms at low degrees of hydrationin sulfonic acid-based polymer electrolyte membranes. Annu. Rev. Mater. Res.2003, 33, 289-319.
    • (2003) Annu. Rev. Mater. Res. , vol.33 , pp. 289-319
    • Paddison, S.J.1
  • 5
    • 7644219892 scopus 로고    scopus 로고
    • State of understanding of Nafion
    • Mauritz, K. A.; Moore, R. B. State of understanding of Nafion. Chem. Rev.2004, 104, 4535-4585.
    • (2004) Chem. Rev. , vol.104 , pp. 4535-4585
    • Mauritz, K.A.1    Moore, R.B.2
  • 6
    • 0024125190 scopus 로고
    • Effect of side-chainlength on the properties of perfluorocarbon ionomers
    • Tant, M. R.; Lee, K. D.; Darst, K. P.; Martin, C. W. Effect of side-chainlength on the properties of perfluorocarbon ionomers. Polym. Mater. Sci. Eng.1988, 58, 1074.
    • (1988) Polym. Mater. Sci. Eng. , vol.58 , pp. 1074
    • Tant, M.R.1    Lee, K.D.2    Darst, K.P.3    Martin, C.W.4
  • 7
    • 0024732791 scopus 로고
    • Morphology and chemical properties of theDow perfluorinated ionomers
    • Moore, R. B.; Martin, C. R. Morphology and chemical properties of theDow perfluorinated ionomers. Macromolecules 1989, 22, 3594-3599.
    • (1989) Macromolecules , vol.22 , pp. 3594-3599
    • Moore, R.B.1    Martin, C.R.2
  • 8
    • 0025387936 scopus 로고
    • The application of Dow Chemical's perfluorinated membranesin proton-exchange membrane fuel cells
    • Eisman, G. A. The application of Dow Chemical's perfluorinated membranesin proton-exchange membrane fuel cells. J. Power Sources 1990, 29,389-398.
    • (1990) J. Power Sources , vol.29 , pp. 389-398
    • Eisman, G.A.1
  • 9
    • 0034206804 scopus 로고    scopus 로고
    • Small-angle scattering study of short pendant chainperfluorosulfonated ionomer membranes
    • Gebel, G.; Moore, R. B. Small-angle scattering study of short pendant chainperfluorosulfonated ionomer membranes. Macromolecules 2000, 33, 4850-4855.
    • (2000) Macromolecules , vol.33 , pp. 4850-4855
    • Gebel, G.1    Moore, R.B.2
  • 10
    • 23844519274 scopus 로고    scopus 로고
    • Proton exchangemembranes based on the short-side-chain perfluorinated ionomer
    • Ghielmi, A.; Vaccarono, P.; Troglia, C.; Arcella, V. Proton exchangemembranes based on the short-side-chain perfluorinated ionomer. J. PowerSources 2005, 145, 108-115.
    • (2005) J. PowerSources , vol.145 , pp. 108-115
    • Ghielmi, A.1    Vaccarono, P.2    Troglia, C.3    Arcella, V.4
  • 12
    • 48149107689 scopus 로고    scopus 로고
    • Water andmethanol permeation through short-side-chain perfluorosulphonic acid ionomericmembranes
    • Gorri, D.; De Angelis, M. G.; Giacinti Baschetti, M.; Sarti, G. C. Water andmethanol permeation through short-side-chain perfluorosulphonic acid ionomericmembranes. J. Membr. Sci. 2008, 322, 383-391.
    • (2008) J. Membr. Sci. , vol.322 , pp. 383-391
    • Gorri, D.1    De Angelis, M.G.2    Giacinti Baschetti, M.3    Sarti, G.C.4
  • 13
    • 0037570691 scopus 로고    scopus 로고
    • High performance perfluoropolymerfilms and membranes
    • Arcella, V.; Ghielmi, A.;Tommasi, G. High performance perfluoropolymerfilms and membranes. Ann. N.Y. Acad. Sci. 2003, 984, 226-244.
    • (2003) Ann. N.Y. Acad. Sci. , vol.984 , pp. 226-244
    • Arcella, V.1    Ghielmi, A.2    Tommasi, G.3
  • 16
    • 36048960892 scopus 로고    scopus 로고
    • Membraneelectrode assemblies based on HYFLON (R) ion for an evolving fuel celltechnology
    • Merlo, L.; Ghielmi, A.; Cirillo, L.; Gebert, M.; Arcella, V. Membraneelectrode assemblies based on HYFLON (R) ion for an evolving fuel celltechnology. Sep. Sci. Technol. 2007, 42, 2891-2908.
    • (2007) Sep. Sci. Technol. , vol.42 , pp. 2891-2908
    • Merlo, L.1    Ghielmi, A.2    Cirillo, L.3    Gebert, M.4    Arcella, V.5
  • 17
    • 39849095458 scopus 로고    scopus 로고
    • Lithiated short side chain perfluorinated sulfonic ionomeric membranes:water content and conductivity
    • Navarrini, W.; Scrosati, B.; Panero, S.; Ghielmi, A.; Sanguineti, A.;Geniram, G. Lithiated short side chain perfluorinated sulfonic ionomeric membranes:water content and conductivity. J. Power Sources 2008, 178, 783-788.
    • (2008) J. Power Sources , vol.178 , pp. 783-788
    • Navarrini, W.1    Scrosati, B.2    Panero, S.3    Ghielmi, A.4    Sanguineti, A.5    Geniram, G.6
  • 19
    • 68549140321 scopus 로고    scopus 로고
    • Clipped random wavemorphologies and the analysis of the SAXS of an ionomer formed by copolymerizationof tetrafluoroethylene and CF2dCFO(CF2) 4SO3H
    • Aieta, N. V.; Stanis, R. J.; Horan, J. L.; Yandrasits, M. A.; Cookson, D. J.;Ingham, B.; Toney, M. F.; Hamrock, S. J.; Herring, A. M. Clipped random wavemorphologies and the analysis of the SAXS of an ionomer formed by copolymerizationof tetrafluoroethylene and CF2dCFO(CF2) 4SO3H. Macromolecules2009, 42, 5774-5780.
    • (2009) Macromolecules , vol.42 , pp. 5774-5780
    • Aieta, N.V.1    Stanis, R.J.2    Horan, J.L.3    Yandrasits, M.A.4    Cookson, D.J.5    Ingham, B.6    Toney, M.F.7    Hamrock, S.J.8    Herring, A.M.9
  • 20
    • 73349088087 scopus 로고    scopus 로고
    • A comparative study of thehydrated morphologies of perfluorosulfonic acid fuel cell membranes with mesoscopicsimulations
    • Wu, D.-S.; Paddison, S. J.; Elliott, J. A. A comparative study of thehydrated morphologies of perfluorosulfonic acid fuel cell membranes with mesoscopicsimulations. Energy Environ. Sci. 2008, 1, 284-293.
    • (2008) Energy Environ. Sci. , vol.1 , pp. 284-293
    • Wu, D.-S.1    Paddison, S.J.2    Elliott, J.A.3
  • 21
    • 66549093474 scopus 로고    scopus 로고
    • Effect of molecular weight onhydrated morphologies of the short-side-chain perfluorosulfonic acid membrane
    • Wu, D. S.; Paddison, S. J.; Elliott, J. A. Effect of molecular weight onhydrated morphologies of the short-side-chain perfluorosulfonic acid membrane.Macromolecules 2009, 42, 3358-3367.
    • (2009) Macromolecules , vol.42 , pp. 3358-3367
    • Wu, D.S.1    Paddison, S.J.2    Elliott, J.A.3
  • 22
    • 0001305849 scopus 로고    scopus 로고
    • A model-independent maximum-entropy methodfor the inversion of small-angle X-ray diffraction patterns
    • Elliott, J. A.; Hanna, S. A model-independent maximum-entropy methodfor the inversion of small-angle X-ray diffraction patterns. J. Appl. Crystallogr.1999, 32, 1069-1083.
    • (1999) J. Appl. Crystallogr. , vol.32 , pp. 1069-1083
    • Elliott, J.A.1    Hanna, S.2
  • 23
    • 0033746443 scopus 로고    scopus 로고
    • Interpretation ofthe small-angle X-ray scattering from swollen and oriented perfluorinated ionomermembranes
    • Elliott, J. A.; Hanna, S.; Elliott, A. M. S.; Cooley, G. E. Interpretation ofthe small-angle X-ray scattering from swollen and oriented perfluorinated ionomermembranes. Macromolecules 2000, 33, 4161-4171.
    • (2000) Macromolecules , vol.33 , pp. 4161-4171
    • Elliott, J.A.1    Hanna, S.2    Elliott, A.M.S.3    Cooley, G.E.4
  • 24
    • 34447525372 scopus 로고    scopus 로고
    • Modelling of morphology and protontransport in PFSA membranes
    • Elliott, J. A.; Paddison, S. J. Modelling of morphology and protontransport in PFSA membranes. Phys. Chem. Chem. Phys. 2007, 9, 2602-2618.
    • (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 2602-2618
    • Elliott, J.A.1    Paddison, S.J.2
  • 25
    • 42449112168 scopus 로고    scopus 로고
    • Molecular modeling of protontransport in the short-side-chain perfluorosulfonic acid ionomer
    • Hristov, I. H.; Paddison, S. J.; Paul, R. Molecular modeling of protontransport in the short-side-chain perfluorosulfonic acid ionomer. J. Phys. Chem. B2008, 112, 2937-2949.
    • (2008) J. Phys. Chem. B , vol.112 , pp. 2937-2949
    • Hristov, I.H.1    Paddison, S.J.2    Paul, R.3
  • 26
    • 34047274755 scopus 로고    scopus 로고
    • Dynamics of H2O and Na\+ in Nafionmembranes
    • Blake, N. P.; Mills, G.; Metiu, H. Dynamics of H2O and Na\+ in Nafionmembranes. J. Phys. Chem. B 2007, 111, 2490-2494.
    • (2007) J. Phys. Chem. B , vol.111 , pp. 2490-2494
    • Blake, N.P.1    Mills, G.2    Metiu, H.3
  • 27
    • 30344439515 scopus 로고    scopus 로고
    • Structure of hydratedNa-Nafion polymer membranes
    • Blake, N. P.; Petersen, M. K.; Voth, G. A.; Metiu, H. Structure of hydratedNa-Nafion polymer membranes. J. Phys. Chem. B 2005, 109, 24244-24253.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 24244-24253
    • Blake, N.P.1    Petersen, M.K.2    Voth, G.A.3    Metiu, H.4
  • 28
    • 15544364795 scopus 로고    scopus 로고
    • Excessproton solvation and delocalization in a hydrophilic pocket of the protonconducting polymer membrane Nafion
    • Petersen, M. K.; Wang, F.; Blake, N. P.; Metiu, H.; Voth, G. A. Excessproton solvation and delocalization in a hydrophilic pocket of the protonconducting polymer membrane Nafion. J. Phys. Chem. B 2005, 109, 3727-3730.
    • (2005) J. Phys. Chem. B , vol.109 , pp. 3727-3730
    • Petersen, M.K.1    Wang, F.2    Blake, N.P.3    Metiu, H.4    Voth, G.A.5
  • 29
    • 57149136847 scopus 로고    scopus 로고
    • Nanophase segregation and water dynamics in hydrated Nafion:molecular modeling and experimental validation
    • Malek, K.; Eikerling, M.; Wang, Q. P.; Liu, Z. S.; Otsuka, S.; Akizuki, K.;Abe, M. Nanophase segregation and water dynamics in hydrated Nafion:molecular modeling and experimental validation. J. Chem. Phys. 2008, 129,204702.
    • (2008) J. Chem. Phys. , vol.129 , pp. 204702
    • Malek, K.1    Eikerling, M.2    Wang, Q.P.3    Liu, Z.S.4    Otsuka, S.5    Akizuki, K.6    Abe, M.7
  • 30
    • 0042941384 scopus 로고    scopus 로고
    • A computer simulation study of the mesoscopicstructure of the polyelectrolyte membrane Nafion
    • Yamamoto, S.; Hyodo, S. A. A computer simulation study of the mesoscopicstructure of the polyelectrolyte membrane Nafion. Polym. J. 2003, 35,519-527.
    • (2003) Polym. J. , vol.35 , pp. 519-527
    • Yamamoto, S.1    Hyodo, S.A.2
  • 31
    • 33644607475 scopus 로고    scopus 로고
    • Mesoscopic morphology of protonconductingpolyelectrolyte membranes of NafionÒ type: A self-consistent meanfield simulation
    • Galperin, D. Y.; Khokhlov, A. R. Mesoscopic morphology of protonconductingpolyelectrolyte membranes of NafionÒ type: a self-consistent meanfield simulation. Macromol. Theory Simul. 2006, 15, 137-146.
    • (2006) Macromol. Theory Simul. , vol.15 , pp. 137-146
    • Galperin, D.Y.1    Khokhlov, A.R.2
  • 32
    • 34547854132 scopus 로고    scopus 로고
    • Mesoscalesimulation of morphology in hydrated perfluorosulfonic acid membranes
    • Wescott, J. T.; Qi, Y.; Subramanian, L.; Capehart, T. W. Mesoscalesimulation of morphology in hydrated perfluorosulfonic acid membranes.J. Chem. Phys. 2006, 124, 134702.
    • (2006) J. Chem. Phys. , vol.124 , pp. 134702
    • Wescott, J.T.1    Qi, Y.2    Subramanian, L.3    Capehart, T.W.4
  • 34
    • 77957942164 scopus 로고    scopus 로고
    • Hamrock, S. J. Unpublished results
    • Hamrock, S. J. Unpublished results.
  • 35
    • 84950109965 scopus 로고
    • Simulating microscopichydrodynamic phenomena with dissipative particle dynamics
    • Hoogerbrugge, P. J.; Koelman, J. M. V. A. Simulating microscopichydrodynamic phenomena with dissipative particle dynamics. Europhys. Lett.1992, 19, 155-160.
    • (1992) Europhys. Lett. , vol.19 , pp. 155-160
    • Hoogerbrugge, P.J.1    Koelman, J.M.V.A.2
  • 36
    • 84950126426 scopus 로고
    • Dynamic simulations of hardspheresuspensions under steady shear
    • Koelman, J. M. V. A.; Hoogerbrugge, P. J. Dynamic simulations of hardspheresuspensions under steady shear. Europhys. Lett. 1993, 21, 363-368.
    • (1993) Europhys. Lett. , vol.21 , pp. 363-368
    • Koelman, J.M.V.A.1    Hoogerbrugge, P.J.2
  • 37
    • 84956259119 scopus 로고
    • Statistical mechanics of dissipative particledynamics
    • Espanol, P.; Warren, P. B. Statistical mechanics of dissipative particledynamics. Europhys. Lett. 1995. 30, 191-196.
    • (1995) Europhys. Lett. , vol.30 , pp. 191-196
    • Espanol, P.1    Warren, P.B.2
  • 38
    • 0031573754 scopus 로고    scopus 로고
    • Dissipative particle dynamics with energy conservation
    • Espanol, P. Dissipative particle dynamics with energy conservation.Europhys. Lett. 1997, 40, 631-636.
    • (1997) Europhys. Lett. , vol.40 , pp. 631-636
    • Espanol, P.1
  • 39
    • 5544242655 scopus 로고    scopus 로고
    • Dissipative particle dynamics: Bridging the gapbetween atomistic and mesoscopic simulation
    • Groot, R. D.; Warren, P. B. Dissipative particle dynamics: bridging the gapbetween atomistic and mesoscopic simulation. J. Chem. Phys. 1997, 107,4423-4435.
    • (1997) J. Chem. Phys. , vol.107 , pp. 4423-4435
    • Groot, R.D.1    Warren, P.B.2
  • 40
    • 0032073182 scopus 로고    scopus 로고
    • Dynamic simulation of diblock copolymermicrophase separation
    • Groot, R. D.; Madden, T. J. Dynamic simulation of diblock copolymermicrophase separation. J. Chem. Phys. 1998, 108, 8713-8724.
    • (1998) J. Chem. Phys. , vol.108 , pp. 8713-8724
    • Groot, R.D.1    Madden, T.J.2
  • 41
    • 0034909360 scopus 로고    scopus 로고
    • Mesoscopic simulation of cell membranedamage, morphology change and rupture by nonionic surfactants
    • Groot, R. D.; Rabone, K. L. Mesoscopic simulation of cell membranedamage, morphology change and rupture by nonionic surfactants. Biophys. J.2001, 81, 725-736.
    • (2001) Biophys. J. , vol.81 , pp. 725-736
    • Groot, R.D.1    Rabone, K.L.2
  • 42
    • 77952901020 scopus 로고    scopus 로고
    • Materials Studio, version 4.1 San Diego, CA
    • Materials Studio, version 4.1; Accelrys Software Inc.: San Diego, CA, 2006.
    • (2006) Accelrys Software Inc
  • 44
    • 0000594928 scopus 로고    scopus 로고
    • The modeling of molecular structure and ion transport insulfonic acid based ionomer membranes
    • Paddison, S. J. The modeling of molecular structure and ion transport insulfonic acid based ionomer membranes. J. New Mater. Electrochem. Syst. 2001, 4,197-207.
    • (2001) J. New Mater. Electrochem. Syst. , vol.4 , pp. 197-207
    • Paddison, S.J.1
  • 45
    • 33744980449 scopus 로고    scopus 로고
    • On the consequences of side chain flexibilityand backbone conformation on hydration and proton dissociation in perfluorosulfonicacid membranes
    • Paddison, S. J.; Elliott, J. A. On the consequences of side chain flexibilityand backbone conformation on hydration and proton dissociation in perfluorosulfonicacid membranes. Phys. Chem. Chem. Phys. 2006, 8, 2193-2203.
    • (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 2193-2203
    • Paddison, S.J.1    Elliott, J.A.2
  • 46
    • 33745306842 scopus 로고
    • Radial distribution function of liquidargon according to significant structure theory
    • Yoon, B. J.; Jhon, M. S.; Eyring, H. Radial distribution function of liquidargon according to significant structure theory. Proc. Nat. Acad. Sci. U.S.A. 1981,78, 6588-6591.
    • (1981) Proc. Nat. Acad. Sci. U.S.A. , vol.78 , pp. 6588-6591
    • Yoon, B.J.1    Jhon, M.S.2    Eyring, H.3
  • 47
    • 0000837564 scopus 로고    scopus 로고
    • Finite-size effects inmolecular dynamics simulations: Static structure factor and compressibility 0.1.Theoretical method
    • Salacuse, J. J.; Denton, A. R.; Egelstaff, P. A. Finite-size effects inmolecular dynamics simulations: static structure factor and compressibility 0.1.Theoretical method. Phys. Rev. E 1996, 53, 2382-2389.
    • (1996) Phys. Rev. e , vol.53 , pp. 2382-2389
    • Salacuse, J.J.1    Denton, A.R.2    Egelstaff, P.A.3
  • 48
    • 0006942859 scopus 로고    scopus 로고
    • Finitesizeeffects in molecular dynamics simulations: Static structure factor and compressibility 0.2. Application to a model krypton fluid
    • Salacuse, J. J.; Denton, A. R.; Egelstaff, P. A.; Tau, M.; Reatto, L. Finitesizeeffects in molecular dynamics simulations: static structure factor and compressibility0.2. Application to a model krypton fluid. Phys. Rev. E 1996, 53,2390-2401.
    • (1996) Phys. Rev. e , vol.53 , pp. 2390-2401
    • Salacuse, J.J.1    Denton, A.R.2    Egelstaff, P.A.3    Tau, M.4    Reatto, L.5
  • 49
    • 37649025930 scopus 로고    scopus 로고
    • Parallel cylindrical water nanochannels inNafion fuel-cell membranes
    • Schmidt-Rohr, K.; Chen, Q. Parallel cylindrical water nanochannels inNafion fuel-cell membranes. Nat. Mater. 2008, 7, 75-83.
    • (2008) Nat. Mater. , vol.7 , pp. 75-83
    • Schmidt-Rohr, K.1    Chen, Q.2
  • 50
    • 0001385208 scopus 로고
    • The morphology in Nafionperfluorinated membrane products, as determined by wide-and small-angle X-raystudies
    • Gierke, T. D.; Munn, G. E.; Wilson, F. C. The morphology in Nafionperfluorinated membrane products, as determined by wide-and small-angle X-raystudies. J. Polym. Sci. 1981, 19, 1687-1704.
    • (1981) J. Polym. Sci. , vol.19 , pp. 1687-1704
    • Gierke, T.D.1    Munn, G.E.2    Wilson, F.C.3


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