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Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 109, 2011 - Issue 5

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Effect of water–methanol content on the structure of Nafion in the sandwich model and solvent dynamics in nano-channels; a molecular dynamics study

Hadi Abroshan Department of Chemistry, Sharif University of Technology, Tehran, Iran

Hamed Akbarzadeh Department of Chemistry, Sharif University of Technology, Tehran, Iran

Farid Taherkhani Department of Chemistry, Razi University, Kermanshah, Iran

Gholamabbas Parsafar Department of Chemistry, Sharif University of Technology, Tehran, Iran; Nanotechnology Research Center, Sharif University of Technology, Tehran, IranCorrespondence[email protected]

Pages 709-724 | Received 18 Oct 2010, Accepted 15 Dec 2010, Published online: 03 Mar 2011

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https://doi.org/10.1080/00268976.2010.549846

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Horacio R. Corti & Liliana Trevani. (2022) Electro-Osmotic Flow of Water–Methanol Mixtures Through Nafion Membranes Revisited: Composition and Temperature Dependence. Frontiers in Energy Research 10.
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Dulce M. Morales, Javier Villalobos, Mariya A. Kazakova, Jie Xiao & Marcel Risch. (2021) Nafion‐Induced Reduction of Manganese and its Impact on the Electrocatalytic Properties of a Highly Active MnFeNi Oxide for Bifunctional Oxygen Conversion**. ChemElectroChem 8:15, pages 2979-2983.
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Adlai Katzenberg, Andrea Angulo, Ahmet Kusoglu & Miguel A. Modestino. (2021) Impacts of Organic Sorbates on the Ionic Conductivity and Nanostructure of Perfluorinated Sulfonic-Acid Ionomers. Macromolecules 54:11, pages 5187-5195.
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Atefeh Tarokh, Kunal Karan & Sathish Ponnurangam. (2019) Atomistic MD Study of Nafion Dispersions: Role of Solvent and Counterion in the Aggregate Structure, Ionic Clustering, and Acid Dissociation. Macromolecules 53:1, pages 288-301.
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D. S. Saidina, N. Eawwiboonthanakit, M. Mariatti, S. Fontana & C. Hérold. (2019) Recent Development of Graphene-Based Ink and Other Conductive Material-Based Inks for Flexible Electronics. Journal of Electronic Materials 48:6, pages 3428-3450.
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Marielle Soniat & Frances A. Houle. (2018) Swelling and Diffusion during Methanol Sorption into Hydrated Nafion. The Journal of Physical Chemistry B 122:34, pages 8255-8268.
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S. Sasikala, K. Hari Gopi & Santoshkumar D. Bhat. (2016) Sulfosuccinic acid-sulfonated polyether ether ketone/organo functionalized microporous zeolite-13X membrane electrolyte for direct methanol fuel cells. Microporous and Mesoporous Materials 236, pages 38-47.
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C. Arntsen, J. Savage, Y.-L. S. Tse & G. A. Voth. (2016) Simulation of Proton Transport in Proton Exchange Membranes with Reactive Molecular Dynamics. Fuel Cells 16:6, pages 695-703.
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Larisa Karpenko-Jereb, Edyta Rynkowska, Wojciech Kujawski, Sarah Lunghammer, Joanna Kujawa, Stéphane Marais, Kateryna Fatyeyeva, Corinne Chappey & Anne-Marie Kelterer. (2015) Ab initio study of cationic polymeric membranes in water and methanol. Ionics 22:3, pages 357-367.
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S. Sasikala, S. Vinod Selvaganesh, A.K. Sahu, A. Carbone & E. Passalacqua. (2016) Block co-polymer templated mesoporous carbon–Nafion hybrid membranes for polymer electrolyte fuel cells under reduced relative humidity. Journal of Membrane Science 499, pages 503-514.
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Sergei Burlatsky, Robert M. Darling, Dmitri Novikov, Vadim V. Atrazhev, Vadim I. Sultanov, Tatiana Y. Astakhova, Liang Su & Fikile Brushett. (2016) Molecular Dynamics Modeling of the Conductivity of Lithiated Nafion Containing Nonaqueous Solvents. Journal of The Electrochemical Society 163:10, pages A2232-A2239.
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Ghasem Bahlakeh, Mohammad Mahdi Hasani-Sadrabadi & Karl I. Jacob. (2016) Exploring the hydrated microstructure and molecular mobility in blend polyelectrolyte membranes by quantum mechanics and molecular dynamics simulations. RSC Advances 6:42, pages 35517-35526.
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Abhilash Paneri, Yunseon Heo, Gregory Ehlert, Anton Cottrill, Henry Sodano, Peter Pintauro & Saeed Moghaddam. (2014) Proton selective ionic graphene-based membrane for high concentration direct methanol fuel cells. Journal of Membrane Science 467, pages 217-225.
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S. Meenakshi, S. D. Bhat, A. K. Sahu, P. Sridhar & S. Pitchumani. (2013) Modified Sulfonated Poly(ether ether ketone) Based Mixed Matrix Membranes for Direct Methanol Fuel Cells. Fuel Cells 13:5, pages 851-861.
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Ghasem Bahlakeh, Manouchehr Nikazar & Mohammad Mahdi Hasani-Sadrabadi. (2013) Understanding structure and transport characteristics in hydrated sulfonated poly(ether ether ketone)–sulfonated poly(ether sulfone) blend membranes using molecular dynamics simulations. Journal of Membrane Science 429, pages 384-395.
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Shulu Feng, John Savage & Gregory A. Voth. (2012) Effects of Polymer Morphology on Proton Solvation and Transport in Proton-Exchange Membranes. The Journal of Physical Chemistry C 116:36, pages 19104-19116.
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Ghasem Bahlakeh & Manouchehr Nikazar. (2012) Molecular dynamics simulation analysis of hydration effects on microstructure and transport dynamics in sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) fuel cell membranes. International Journal of Hydrogen Energy 37:17, pages 12714-12724.
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Effect of water–methanol content on the structure of Nafion in the sandwich model and solvent dynamics in nano-channels; a molecular dynamics study

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Effect of water–methanol content on the structure of Nafion in the sandwich model and solvent dynamics in nano-channels; a molecular dynamics study

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