| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Functional Nanomaterials 2023
|
| Presentation Title |
Coupling of Electric Field Driven Ion Transport with Convective Flow in Graphene Nanochannels |
| Author(s) |
Md Abdullah Al Hasan, Yu-Kai Weng, Seungha Shin, Kenneth D. Kihm, Doug Aaron |
| On-Site Speaker (Planned) |
Md Abdullah Al Hasan |
| Abstract Scope |
The performance of graphene-based electrodes is largely dependent on the ion transport efficiency. Understanding the surface interaction with ion and its effect on the coupling of different driving forces can greatly enhance ion transport, however, remains unexplored. In this research, the ion transport through the graphene nanochannel was investigated by the molecular dynamics (MD) simulations by controlling the several driving forces. Our calculated ionic mobility under various electric field and pressure difference, were in reasonable agreement with the experimental results, thus verified the simulation model. Ion mobility was found higher at lower interaction strength, higher temperature, higher pressure difference, and larger channel size. Moreover, significant coupling between pressure difference and electric field was observed at lower interaction strength and larger channel size. This study will provide comprehensive understanding of the pressure gradient and electric field coupling, which can enable effective ion transport control in organic redox flow batteries. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Polymers, Modeling and Simulation, Computational Materials Science & Engineering |