Layer-by-layer Proton Donor and Acceptor Membrane for an Efficient Proton Transfer System in a Polymer Electrolyte Membrane Fuel Cell

Fuel Cells ◽  
2018 ◽  
Vol 18 (2) ◽  
pp. 181-188 ◽  
Author(s):  
C. Meemuk ◽  
S. Chirachanchai
Keyword(s):  
Fuel Cell ◽  
Proton Transfer ◽  
Polymer Electrolyte ◽  
Polymer Electrolyte Membrane ◽  
Proton Donor ◽  
Layer By Layer ◽  
Transfer System ◽  
Electrolyte Membrane ◽  
Donor And Acceptor

A Molecular Dynamics Study for the Characteristics of Proton Transfer in Polymer Electrolyte Membrane

2011 ◽  
Author(s):  
Takashi Tokumasu ◽  
Taiki Yoshida
Keyword(s):  
Molecular Dynamics ◽  
Fuel Cell ◽  
Proton Transfer ◽  
Polymer Electrolyte ◽  
Energy Barrier ◽  
Density Functional ◽  
Polymer Electrolyte Membrane ◽  
Mean Square Displacement ◽  
Polymer Electrolyte Fuel Cell ◽  
Electrolyte Membrane

These days Polymer Electrolyte Fuel Cell (PEFC) is the most developed fuel cell. A polymer electrolyte membrane (PEM) is used in PEFC. Its efficiency is proportional to the proton transferring efficiency, which depends on the nanoscale structure of water. In this study, the property of proton transfer was analyzed by Molecular Dynamics (MD) method including Grotthus mechanism by Empirical Valence Bond (EVB) method. Nafion membrane was adopted as PEM. The potential energy barrier of proton hopping obtained by EVB method was adjusted to reproduce the energy barrier obtained by Density Functional Theory (DFT). In MD simulation, the distribution of water in Nafion was firstly analyzed. The results showed that liquid molecules gather around sulfo groups. Next, the property of proton transfer was analyzed by Mean Square Displacement (MSD).

scholarly journals Review of the Durability of Polymer Electrolyte Membrane Fuel Cell in Long-Term Operation: Main Influencing Parameters and Testing Protocols

Energies ◽  
2021 ◽  
Vol 14 (13) ◽  
pp. 4048
Author(s):  
Huu Linh Nguyen ◽  
Jeasu Han ◽  
Xuan Linh Nguyen ◽  
Sangseok Yu ◽  
Young-Mo Goo ◽  
...  
Keyword(s):  
Fuel Cell ◽  
Polymer Electrolyte ◽  
Failure Modes ◽  
Polymer Electrolyte Membrane ◽  
Durability Test ◽  
Term Operation ◽  
Electrolyte Membrane ◽  
Transportation Applications ◽  
Testing Protocols

Durability is the most pressing issue preventing the efficient commercialization of polymer electrolyte membrane fuel cell (PEMFC) stationary and transportation applications. A big barrier to overcoming the durability limitations is gaining a better understanding of failure modes for user profiles. In addition, durability test protocols for determining the lifetime of PEMFCs are important factors in the development of the technology. These methods are designed to gather enough data about the cell/stack to understand its efficiency and durability without causing it to fail. They also provide some indication of the cell/stack’s age in terms of changes in performance over time. Based on a study of the literature, the fundamental factors influencing PEMFC long-term durability and the durability test protocols for both PEMFC stationary and transportation applications were discussed and outlined in depth in this review. This brief analysis should provide engineers and researchers with a fast overview as well as a useful toolbox for investigating PEMFC durability issues.

scholarly journals Morphological effect of side chain on H3O+ transfer inside polymer electrolyte membranes across polymeric chain via molecular dynamics simulation

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
JinHyeok Cha
Keyword(s):  
Fuel Cell ◽  
Ionic Conductivity ◽  
Polymer Electrolyte ◽  
Polymer Electrolyte Membrane ◽  
Dynamics Simulation ◽  
Polymeric Chain ◽  
Side Chains ◽  
Dynamic Simulations ◽  
Morphological Effect ◽  
Electrolyte Membrane

AbstractPerformance and durability of polymer electrolyte membrane are critical to fuel cell quality. As fuel cell vehicles become increasingly popular, membrane fundamentals must be understood in detail. Here, this study used molecular dynamic simulations to explore the morphological effects of perfluorosulfonic acid (PFSA)-based membranes on ionic conductivity. In particular, I developed an intuitive quantitative approach focusing principally on hydronium adsorbing to, and desorbing from, negatively charged sulfonate groups, while conventional ionic conductivity calculations featured the use of mean square displacements that included natural atomic vibrations. The results revealed that shorter side-chains caused more hydroniums to enter the conductive state, associated with higher ion conductivity. In addition, the hydronium path tracking showed that shorter side-chains allowed hydroniums to move among host groups, facilitating chain adsorption, in agreement with a mechanism suggested in earlier studies.

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