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Pseudo-DSMC Simulation of Gas–Surface Interactions on GNW-Deposited Polymer Substrates: Ergodicity and Trapping-Induced Reactivity
발표자

이승엽 (한국생산기술연구원)

연구책임자

이승엽 (한국생산기술연구원)

초록

내용

Gas–surface interactions on graphene nanowall (GNW) structures deposited on flexible polyimide (PI) substrates were investigated using a pseudo-direct simulation Monte Carlo (pseudo-DSMC) method. Realistic GNW deposition patterns were extracted from SEM images and applied to trajectory-resolved particle simulations to evaluate gas accessibility and contact behavior on complex interfaces. Spatial contact histograms revealed that certain morphologies promote localized molecular trapping and enhanced residence times, indicating that surface reactivity can be modulated by geometric confinement alone. These results suggest that controlling GNW deposition geometry provides an effective strategy for improving the functional performance of polymer-based surfaces in applications such as gas capture, sensing, or catalysis.


발표코드
2O4-1
발표일정
2025-10-01 15:40 - 16:00