Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Multiscale Modeling and Simulation Platform for Materials and Life Sciences
J-OCTA
Analysis of Polyelectrolyte Membrane for Fuel Cell
For the electrolyte membrane of a polymer electrolyte fuel cell, Dissipative Particle Dynamics (DPD) simulations were conducted for the phase-separated structure formed by water and the polymer electrolyte. The formation of water channel structures and the diffusion behavior of water molecules and protons were evaluated, enabling discussion of structural factors affecting proton conductivity.
Use Cases Highlights
- Calculation of phase-separated structures using DPD
- Analysis of water channel structures and diffusion
- Evaluation of proton conductivity
Phase separation analysis using DPD
Complex water channel structures formed within polymer electrolyte membranes are shown. Shape and size can be evaluated and used for smaller-scale MD simulations for proton conductivity prediction.
Channel structure of water
Details of analysis
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Materials Simulation and Materials Informatics (Automotive)
Materials development through the integration of simulation and data science (Materials DX)
Materials Simulation and Materials Informatics (Mobility)
Materials development through the integration of simulation and data science (Materials DX)
Materials Simulation and Materials Informatics (Electrical Equipment/Precision Equipment/Semiconductors/Heavy Electrical Equipment)
Materials development through the integration of simulation and data science (Materials DX)
