On the nanosecond proton dynamics in phosphoric acid–benzimidazole and phosphoric acid–water mixtures
Abstract
Combining1H-NMR,17O-NMR, and high-resolution backscattering QENS hydrodynamic and structural proton transport in phosphoric acid is separated. The rate limiting steps for structural proton diffusion in mixtures of acid with Brønsted bases are found to occur below the nanosecond timescale.
- Authors:
-
[1];
[2]
- Max Planck Inst. for Solid State Research, Stuttgart (Germany)
- Inst. Laue-Langevin (ILL), Grenoble (France)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1407718
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 19; Journal Issue: 42; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Melchior, Jan-Patrick, and Frick, Bernhard. On the nanosecond proton dynamics in phosphoric acid–benzimidazole and phosphoric acid–water mixtures. United States: N. p., 2017.
Web. doi:10.1039/C7CP04116K.
Melchior, Jan-Patrick, & Frick, Bernhard. On the nanosecond proton dynamics in phosphoric acid–benzimidazole and phosphoric acid–water mixtures. United States. https://doi.org/10.1039/C7CP04116K
Melchior, Jan-Patrick, and Frick, Bernhard. Fri .
"On the nanosecond proton dynamics in phosphoric acid–benzimidazole and phosphoric acid–water mixtures". United States. https://doi.org/10.1039/C7CP04116K. https://www.osti.gov/servlets/purl/1407718.
@article{osti_1407718,
title = {On the nanosecond proton dynamics in phosphoric acid–benzimidazole and phosphoric acid–water mixtures},
author = {Melchior, Jan-Patrick and Frick, Bernhard},
abstractNote = {Combining1H-NMR,17O-NMR, and high-resolution backscattering QENS hydrodynamic and structural proton transport in phosphoric acid is separated. The rate limiting steps for structural proton diffusion in mixtures of acid with Brønsted bases are found to occur below the nanosecond timescale.},
doi = {10.1039/C7CP04116K},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 42,
volume = 19,
place = {United States},
year = {Fri Sep 22 00:00:00 EDT 2017},
month = {Fri Sep 22 00:00:00 EDT 2017}
}
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Works referenced in this record:
[sup 1]H and [sup 31]P NMR Study of Phosphoric Acid–Doped Polybenzimidazole under Controlled Water Activity
journal, January 2009
- Schechter, Alex; Savinell, Robert F.; Wainright, J. S.
- Journal of The Electrochemical Society, Vol. 156, Issue 2
Effect of Benzimidazole Configuration in Polybenzimidazole Chain on Interaction with Phosphoric Acid: A DFT Study
journal, December 2014
- Shirata, Kei; Kawauchi, Susumu
- The Journal of Physical Chemistry B, Vol. 119, Issue 2
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
journal, October 2004
- Kreuer, Klaus-Dieter; Paddison, Stephen J.; Spohr, Eckhard
- Chemical Reviews, Vol. 104, Issue 10
Dynamics of the hydrogen and phosphate ions in proton conducting gel/D3PO4 electrolytes: A 2H and 31P nuclear magnetic resonance study
journal, July 2003
- Jeffrey, K. R.; Zukowska, G. Z.; Stevens, J. R.
- The Journal of Chemical Physics, Vol. 119, Issue 4
Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites
journal, May 2007
- Jobic, Hervé; Theodorou, Doros N.
- Microporous and Mesoporous Materials, Vol. 102, Issue 1-3
779. Anomalous conduction in phosphoric acid hemihydrate, 2H3PO4,H2O
journal, January 1959
- Greenwood, N. N.; Thompson, A.
- Journal of the Chemical Society (Resumed)
Oxygen-17 NMR spectroscopy: Basic principles and applications (part II)
journal, July 2010
- Gerothanassis, Ioannis P.
- Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 57, Issue 1
Electro-osmotic Drag Coefficient of Water and Methanol in Polymer Electrolytes at Elevated Temperatures
journal, January 1996
- Weng, D.
- Journal of The Electrochemical Society, Vol. 143, Issue 4
Nuclear electric quadrupole relaxation
journal, January 1996
- Gerothanassis, I. P.; Tsanaktsidis, C. G.
- Concepts in Magnetic Resonance, Vol. 8, Issue 1
First principles molecular dynamics study of proton dynamics and transport in phosphoric acid/imidazole (2:1) system
journal, December 2013
- Vilčiauskas, Linas; Tuckerman, Mark E.; Melchior, Jan P.
- Solid State Ionics, Vol. 252
The Activation Energies of Proton Transfer Reactions in Water
journal, November 1964
- Luz, Z.; Meiboom, S.
- Journal of the American Chemical Society, Vol. 86, Issue 22
Proton Conductivity in Phosphoric Acid: The Role of Quantum Effects
journal, October 2016
- Heres, M.; Wang, Y.; Griffin, P. J.
- Physical Review Letters, Vol. 117, Issue 15
Proton migration along the membrane surface and retarded surface to bulk transfer
journal, August 1994
- Heberle, Joachim; Riesle, Jens; Thiedemann, Gerd
- Nature, Vol. 370, Issue 6488
Self-Dissociative Equilibria in Molten Phosphoric Acid
journal, November 1964
- Munson, Ronald A.
- The Journal of Physical Chemistry, Vol. 68, Issue 11
Ionic Conductivity and Glass Transition of Phosphoric Acids
journal, June 2013
- Wang, Yangyang; Lane, Nathan A.; Sun, Che-Nan
- The Journal of Physical Chemistry B, Vol. 117, Issue 26
Diffusive Motions in Water and Cold Neutron Scattering
journal, August 1960
- Singwi, K. S.; Sjölander, Alf
- Physical Review, Vol. 119, Issue 3
Analysis and visualisation of neutron-scattering data
journal, December 1996
- Richard, D.; Ferrand, M.; Kearley, G. J.
- Journal of Neutron Research, Vol. 4, Issue 1
Probing phosphoric acid redistribution and anion migration in polybenzimidazole membranes
journal, September 2017
- Becker, Hans; Cleemann, Lars Nilausen; Aili, David
- Electrochemistry Communications, Vol. 82
Acid-Doped Polybenzimidazoles: A New Polymer Electrolyte
journal, January 1995
- Wainright, J. S.
- Journal of The Electrochemical Society, Vol. 142, Issue 7
Polymer and Composite Membranes for Proton-Conducting, High-Temperature Fuel Cells: A Critical Review
journal, June 2017
- Quartarone, Eliana; Angioni, Simone; Mustarelli, Piercarlo
- Materials, Vol. 10, Issue 7
PA based proton conductors - from monomeric benzimidazole to polybenzimidazole
null, January 2013
- Patrick, MELCHIOR Jan; Bernhard, Frick; Dieter, KREUER Klaus
- Institut Laue-Langevin (ILL)
Proton Conductivity: Materials and Applications
journal, January 1996
- Kreuer, Klaus-Dieter
- Chemistry of Materials, Vol. 8, Issue 3
Conductivity of PBI Membranes for High-Temperature Polymer Electrolyte Fuel Cells
journal, January 2004
- Ma, Y. -L.; Wainright, J. S.; Litt, M. H.
- Journal of The Electrochemical Society, Vol. 151, Issue 1
Proton dynamics of CsH2PO4 studied by quasi-elastic neutron scattering and PFG-NMR
journal, December 2008
- Ishikawa, A.; Maekawa, H.; Yamamura, T.
- Solid State Ionics, Vol. 179, Issue 40
Incoherent neutron scattering functions for random jump diffusion in bounded and infinite media
journal, February 1981
- Hall, Peter L.; Ross, D. K.
- Molecular Physics, Vol. 42, Issue 3
Nuclear Magnetic Resonance Study of the Proton Transfer in Water
journal, February 1961
- Meiboom, S.
- The Journal of Chemical Physics, Vol. 34, Issue 2
Influence of morphology on physical properties of poly(2,5-benzimidazole) membranes
journal, July 2017
- Ivanova, O.; Lüke, W.; Majerus, A.
- Journal of Membrane Science, Vol. 533
Water distribution in high temperature polymer electrolyte fuel cells
journal, January 2016
- Reimer, Uwe; Ehlert, Jannik; Janßen, Holger
- International Journal of Hydrogen Energy, Vol. 41, Issue 3
The mechanism of proton conduction in phosphoric acid
journal, April 2012
- Vilčiauskas, Linas; Tuckerman, Mark E.; Bester, Gabriel
- Nature Chemistry, Vol. 4, Issue 6
On the complexity of proton conduction phenomena
journal, November 2000
- Kreuer, K.
- Solid State Ionics, Vol. 136-137, Issue 1-2
Ion Conduction Mechanisms and Thermal Properties of Hydrated and Anhydrous Phosphoric Acids Studied with 1 H, 2 H, and 31 P NMR
journal, December 2006
- Aihara, Yuichi; Sonai, Atsuo; Hattori, Mineyuki
- The Journal of Physical Chemistry B, Vol. 110, Issue 49
The Electrical Conductivity and Viscosity of Concentrated Solutions of Orthophosphoric Acid.
journal, November 1909
- Smith, Alexander; Menzies, Alan W. C.
- Journal of the American Chemical Society, Vol. 31, Issue 11
Mass transport of phosphoric acid in water: A 1H and 31P pulsed gradient spin-echo nuclear magnetic resonance study
journal, May 2000
- Chung, S. H.; Bajue, S.; Greenbaum, S. G.
- The Journal of Chemical Physics, Vol. 112, Issue 19
NMR Studies of Mass Transport in High-Acid-Content Fuel Cell Membranes Based on Phosphoric Acid and Polybenzimidazole
journal, January 2007
- Jayakody, J. R. P.; Chung, S. H.; Durantino, L.
- Journal of The Electrochemical Society, Vol. 154, Issue 2
Why did Nature select phosphate for its dominant roles in biology?
journal, January 2010
- Bowler, Matthew W.; Cliff, Matthew J.; Waltho, Jonathan P.
- New Journal of Chemistry, Vol. 34, Issue 5
Structure and Proton Dynamics in Catalytic Layer of HT-PEFC
journal, April 2016
- Khaneft, M.; Holderer, O.; Ivanova, O.
- Fuel Cells, Vol. 16, Issue 4
Imidazole and 1-methyl imidazole in phosphoric acid doped polybenzimidazole, electrolyte for fuel cells
journal, March 2002
- Schechter, A.
- Solid State Ionics, Vol. 147, Issue 1-2
The nanosecond proton dynamics of phosphoric acid – from the solid to the melt – investigated by neutron backscattering
journal, December 2013
- Frick, Bernhard; Vilčiauskas, Linas; Deen, Pascale P.
- Solid State Ionics, Vol. 252
Ab initio molecular dynamics simulation of the solvation and transport of hydronium and hydroxyl ions in water
journal, July 1995
- Tuckerman, M.; Laasonen, K.; Sprik, M.
- The Journal of Chemical Physics, Vol. 103, Issue 1
Characterization of H3PO4-equilibrated Nafion® 117 membranes using 1H and 31P NMR spectroscopy
journal, August 1995
- Wasmus, S.
- Solid State Ionics, Vol. 80, Issue 1-2
Oxygen-17 NMR spectroscopy: Basic principles and applications (Part I)
journal, March 2010
- Gerothanassis, Ioannis P.
- Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 56, Issue 2
Recent Backscattering Instrument Developments at the ILL and SNS
journal, February 2010
- Frick, Bernhard; Mamontov, Eugene; Eijck, Lambert van
- Zeitschrift für Physikalische Chemie, Vol. 224, Issue 1-2
The diffusion mechanism of an excess proton in imidazole molecule chains: first results of an ab initio molecular dynamics study
journal, December 2001
- Münch, W.; Kreuer, K. -D; Silvestri, W.
- Solid State Ionics, Vol. 145, Issue 1-4
Proton-conducting polymer electrolytes based on phosphoric acid
journal, October 1999
- Bozkurt, A.; Ise, M.; Kreuer, K. D.
- Solid State Ionics, Vol. 125, Issue 1-4
Investigation of proton-conducting solids
journal, August 1981
- Kreuer, K.; Weppner, W.; Rabenau, A.
- Solid State Ionics, Vol. 3-4
The glass transition temperatures of phosphoric acids
journal, October 1976
- Ellis, Bryan
- Nature, Vol. 263, Issue 5579
The Grotthuss mechanism
journal, October 1995
- Agmon, Noam
- Chemical Physics Letters, Vol. 244, Issue 5-6
On the conductivity of phosphoric acid electrolyte
journal, January 1989
- Chin, Der-Tau; Chang, Howard H.
- Journal of Applied Electrochemistry, Vol. 19, Issue 1
Incoherent neutron scattering study of protonic conductors
journal, June 1992
- Lassègues, J. -C.; Cavagnat, D.
- Physica B: Condensed Matter, Vol. 180-181
Imidazole and pyrazole-based proton conducting polymers and liquids
journal, April 1998
- Kreuer, K. D.; Fuchs, A.; Ise, M.
- Electrochimica Acta, Vol. 43, Issue 10-11
Relaxation Effects in Nuclear Magnetic Resonance Absorption
journal, April 1948
- Bloembergen, N.; Purcell, E. M.; Pound, R. V.
- Physical Review, Vol. 73, Issue 7
Density, electrical conductivity, and vapor pressure of concentrated phosphoric acid
journal, July 1969
- MacDonald, David I.; Boyack, James R.
- Journal of Chemical & Engineering Data, Vol. 14, Issue 3
Heat capacity and glass transition in P2O5–H2O solutions: support for Mishima's conjecture on solvent water at low temperature
journal, January 2011
- Corti, Horacio R.; Nores-Pondal, Federico J.; Angell, C. Austen
- Physical Chemistry Chemical Physics, Vol. 13, Issue 44
Multinuclear NMR Study of the Effect of Acid Concentration on Ion Transport in Phosphoric Acid Doped Poly(benzimidazole) Membranes
journal, October 2012
- Suarez, Sophia; Kodiweera, N. K. A. C.; Stallworth, P.
- The Journal of Physical Chemistry B, Vol. 116, Issue 41
High temperature proton exchange membranes based on polybenzimidazoles for fuel cells
journal, May 2009
- Li, Qingfeng; Jensen, Jens Oluf; Savinell, Robert F.
- Progress in Polymer Science, Vol. 34, Issue 5
A neutron diffraction and computer modeling study of the interatomic structure of phosphoric acid
journal, January 1999
- Tromp, R. Hans; Spieser, Stephane H.; Neilson, George W.
- The Journal of Chemical Physics, Vol. 110, Issue 4
Influence of ionic solutes upon the conductivity of molten phosphoric acid
journal, September 1967
- Munson, Ronald A.; Lazarus, Michael E.
- The Journal of Physical Chemistry, Vol. 71, Issue 10
Observing proton motion on the nanoscale in polymeric electrolyte membranes with quasielastic neutron scattering
journal, December 2014
- Holderer, O.; Ivanova, O.; Hopfenmüller, B.
- International Journal of Hydrogen Energy, Vol. 39, Issue 36
Mechanism of Efficient Proton Conduction in Diphosphoric Acid Elucidated via First-Principles Simulation and NMR
journal, December 2015
- Krueger, Rachel A.; Vilčiauskas, Linas; Melchior, Jan-Patrick
- The Journal of Physical Chemistry B, Vol. 119, Issue 52
Proton conductivity in fused phosphoric acid; A 1H/31P PFG-NMR and QNS study
journal, May 1993
- Dippel, T.; Kreuer, K.; Lassegues, J.
- Solid State Ionics, Vol. 61, Issue 1-3
Proton conductivity and diffusion in molten phosphinic acid (H3PO2): The last member of the phosphorus oxoacid proton conductor family
journal, March 2012
- Vilčiauskas, Linas; de Araujo, Carla C.; Kreuer, Klaus-Dieter
- Solid State Ionics, Vol. 212
Transport in Proton Conductors for Fuel-Cell Applications: Simulations, Elementary Reactions, and Phenomenology
journal, December 2004
- Kreuer, Klaus-Dieter; Paddison, Stephen J.; Spohr, Eckhard
- ChemInform, Vol. 35, Issue 50
Relaxation Effects in Nuclear Magnetic Resonance Absorption
conference, July 2014
- Bloembergen, N.; Purcell, E. M.; Pound, R. V.
- A Volume in Honor of the 70th Birthday of Nicolaas Bloembergen, Resonances
The Activation Energies of Proton Transfer Reactions in Water
journal, April 1962
- Loewenstein, A.; Szoke, A.
- Journal of the American Chemical Society, Vol. 84, Issue 7
Why did nature select phosphate for its dominant roles in biology?
journal, July 2010
- Matthew, J. Cliff; Jonathan, P. Waltho; Matthew, W. Bowler
- SCIENTIA SINICA Chimica, Vol. 40, Issue 7
Dynamics of the hydrogen and phosphate ions in proton conducting gel/D3PO4 electrolytes: A 2H and 31P nuclear magnetic resonance study
journal, April 1999
- Jeffrey, K. R.; Wieczorek, W.; Raducha, D.
- The Journal of Chemical Physics, Vol. 110, Issue 15
Works referencing / citing this record:
Fractal diffusion in high temperature polymer electrolyte fuel cell membranes
journal, May 2018
- Hopfenmüller, Bernhard; Zorn, Reiner; Holderer, Olaf
- The Journal of Chemical Physics, Vol. 148, Issue 20