Effect of cations (Na+, Co2+, Fe3+) contamination in Nafion membrane: A molecular simulations study
R Cui, Z Zhang, Y Wang, F Liu, H Wang, C Bi… - International Journal of …, 2024 - Elsevier
The cation contamination is an important reason for the degradation of performance and
durability of Nafion membrane, but the contamination mechanism for cations with different …
durability of Nafion membrane, but the contamination mechanism for cations with different …
Prediction of nanoscale thermal transport and adsorption of liquid containing surfactant at solid–liquid interface via deep learning
Hypothesis Recent advances in deep learning (DL) have enabled high level of real-time
prediction of thermophysical properties of materials. On the other hand, molecular dynamics …
prediction of thermophysical properties of materials. On the other hand, molecular dynamics …
Study on the transport performance degradation of Nafion membrane due to the presence of Na+ and Ca2+ using molecular dynamics simulations
G Zhang, G Yang, Q Shen, S Li, Z Li, J Liao… - Journal of Power …, 2022 - Elsevier
Foreign cations have detrimental effects on the transport performance of polymer electrolyte
membranes. In this study, the effects of two typical kinds of cations (Na+ and Ca 2+) on the …
membranes. In this study, the effects of two typical kinds of cations (Na+ and Ca 2+) on the …
Molecular dynamics study on the impacts of cations in sea salt aerosol on transport performance of Nafion Membranes for PEMFCs in marine application
G Zhang, G Yang, S Li, Q Shen, Z Jiang, Z Li… - International Journal of …, 2022 - Elsevier
The application of polymer electrolyte membrane fuel cells (PEMFCs) in marine industry
receives a widespread attention, due to the severe emission regulations. However, cationic …
receives a widespread attention, due to the severe emission regulations. However, cationic …
Prediction of the adsorption properties of liquid at solid surfaces with molecular scale surface roughness via encoding-decoding convolutional neural networks
Molecular dynamics (MD) simulation can effectively analyze the transport properties of liquid
at the solid surface with different nanoscale roughness, while high computational costs are …
at the solid surface with different nanoscale roughness, while high computational costs are …
Molecular dynamics study on impacts of different mixed metal ion contents on transport performance of proton exchange membrane for PEMFCs
Y Li, J Chu, T Su, X Tan, Q Hou, J Tan - International Journal of Hydrogen …, 2024 - Elsevier
During long-term operation, components of proton exchange membrane fuel cells (PEMFCs)
may degrade and produce metal ions. The metal ions are critical to performance of proton …
may degrade and produce metal ions. The metal ions are critical to performance of proton …
A coupling approach between metallic bipolar plates corrosion and membrane chemical degradation in the proton exchange membrane fuel cells
I Elferjani, G Serre, B Ter-Ovanessian… - International Journal of …, 2021 - Elsevier
The Nafion membrane's chemical degradation by the Fenton mechanism involves the
presence of ferrous ions Fe 2+ but the detrimental concentration is not well known. These …
presence of ferrous ions Fe 2+ but the detrimental concentration is not well known. These …
Reactive force-field molecular dynamics simulation for the surface reaction of SiHx (x= 2–4) species on Si (1 0 0)-(2× 1): H surfaces in chemical vapor deposition …
Reactive force-field molecular dynamics simulation of Si thin film deposition in order to prove
the availability of the simulation model including both chemical reactions and physical …
the availability of the simulation model including both chemical reactions and physical …
Proton Transport, Electroosmotic Drag and Oxygen Permeation in Polytetrafluoroethylene Reinforced Ionomer Membranes and Their Effects on Fuel Cell Performance
C Luo, Q Guo, C Feng, Y Wang, P Ming… - Journal of The …, 2024 - iopscience.iop.org
With the increasing need for high power density of proton exchange membrane fuel cells,
new composite membranes have been explored for superior proton transport and gas …
new composite membranes have been explored for superior proton transport and gas …
Uncovering Alternate Pathways to Nafion Membrane Degradation in Fuel Cells with First-Principles Modeling
Polymer electrolyte membrane fuel cells (PEMFCs) represent promising energy storage
solutions, but challenges remain to maximize their utility. Nafion is frequently employed as …
solutions, but challenges remain to maximize their utility. Nafion is frequently employed as …