Modeling and Analysis of Ion Transport Through Anion Exchange Membranes Used in Alkaline Fuel Cells

Ramírez, Sergio Castañeda; Saenz, Carlos Ignacio Sanchez

doi:10.1149/05002.2091ecst

Cited by 4 publications

(1 citation statement)

References 10 publications

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“…Under this approach, the following set of equations for hydroxide ions and water can be obtained (see detailed derivation in Refs. [50,51]):…”

Section: Migrationmentioning

confidence: 99%

Hydroxide Transport in Anion-Exchange Membranes for Alkaline Fuel Cells

Ramírez¹,

Paz²

2018

New Trends in Ion Exchange Studies

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In this chapter are described the characteristics of transport of hydroxide ions through hydrated polymeric materials with potential application in alkaline fuel cells are described. First, it is made a brief description of anion-exchange membrane fuel cells (AEMFCs), their evolution and key characteristics. Then, this chapter presents a detailed classification of the different types of polymers that have been proposed for AEMFCs and their state of development. After that, mechanisms involved in the transport of hydroxide ions through hydrated anion-exchange membranes are described and discussed, making emphasis in the theoretical approaches applied for their study and their implementation and representability in global transport models. In the final section, it is summarized the key features of the chapter and is made a brief discussion about challenges and future work required for the consolidation of this promising technology.

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“…Under this approach, the following set of equations for hydroxide ions and water can be obtained (see detailed derivation in Refs. [50,51]):…”

Section: Migrationmentioning

confidence: 99%

Hydroxide Transport in Anion-Exchange Membranes for Alkaline Fuel Cells

Ramírez¹,

Paz²

2018

New Trends in Ion Exchange Studies

View full text Add to dashboard Cite

show abstract

Hydroxide ion transfer in anion exchange membrane: A density functional theory study

Yang

Hao

Cheng

et al. 2016

International Journal of Hydrogen Energy

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Theoretical Description of the Structural Characteristics of the Quaternized SEBS Anion-Exchange Membrane Using DFT

Castañeda

Paz

2015

J. Phys. Chem. C

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For four conforming structures of the quaternized polystyreneblock-poly(ethylene-ran-butylene)-block-polystyrene membrane (QSEBS), (a) tetramethylammonium hydroxide (TMA + OH − ), (b) benzyltrimetylammonium hydroxide, and (c and d) QSEBS segments with 1 and 2 side chains (DBQSEBS), spatial distribution, bond distances, and charge-density profiles were obtained with density functional theory (DFT) and compared with structural simulations of DBQSEBS for two different hydration levels. Results for the TMA + OH − showed that its constituent ions stay metastable in the vicinity of each other and are joined by donor−acceptor interactions. Also, simulations of the other conforming structures show that, in the absence of water, spatial distribution as well as charge-density profiles of trimethylammonium hydroxide do not change with respect to isolated TMA + OH − , demonstrating that the QSEBS chain is a thermodynamically stable backbone to support the functional group, which is in agreement with the literature. When hydrated, simulations of DBQSEBS for water uptake of 4 show that there is a partial dissociation of hydroxide ions due to donor−acceptor interactions acting competitively on them. For water uptake of 6, this dissociation is completed, and hydroxide ions conform to hypercoordinated structures similar to the square-planar arrangement described for pure water medium, but with some structural differences associated with location, type, and interactions among the molecules involved.

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Modeling and Analysis of Ion Transport Through Anion Exchange Membranes Used in Alkaline Fuel Cells

Cited by 4 publications

References 10 publications

Hydroxide Transport in Anion-Exchange Membranes for Alkaline Fuel Cells

Hydroxide Transport in Anion-Exchange Membranes for Alkaline Fuel Cells

Hydroxide ion transfer in anion exchange membrane: A density functional theory study

Theoretical Description of the Structural Characteristics of the Quaternized SEBS Anion-Exchange Membrane Using DFT

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