Investigation on the surface diffusion process of gas molecules in porous graphene membranes

Porous graphene membranes (PGMs) have nanopores with single atomic thickness, which enables the precise and stable supply of ultralow flow rate gas below 10−14 Pa·m3·s−1. Different from a conventional channel, the surface diffusion (SD) process in PGM has become increasingly important and unique. However, the physical process and mathematical model of gas molecule transport in nanopores with single atomic thickness remain unclear. These inadequacies constrained the application of PGM in ultrasensitive leak detection. In this paper, the SD process in PGM was investigated using molecular dynamics simulation. A test rig was constructed to verify the simulation results. The nanopores in PGM were quantitatively characterized using a transmission electron microscope. Results show that a transfer region encircling the nanopores was identified, which plays a crucial role in the SD process. Furthermore, the physical model of SD process is described with a two-step model. Finally, a mathematical model of the SD process is established and validated. This paper provides nanoscale insights for an in-depth understanding of the SD process in PGM and promotes ultrasensitive leak detection technology.