The Gaseous Hydrogen Transport Capacity in Nanopores Coupling Bulk Flow Mechanisms and Surface Diffusion: Integration of Profession and Innovation

Abstract

Due to its unique chemical structure, hydrogen energy inherently has a high calorific value without reinforcing global warming, so it is expected to be a promising alternative energy source in the future. In this work, we focus on nanoconfined hydrogen flow performance, a critical issue in terms of geological hydrogen storage. For nanopores where the pore scale is comparable to hydrogen’s molecular size, the impact on hydrogen molecules exerted by the pore surface cannot be neglected, leading to the molecules near the surface gaining mobility and slipping on the surface. Furthermore, hydrogen adsorption takes place in the nanopores, and the way the adsorption molecules move is completely different from the bulk molecules. Hence, the frequently applied Navier–Stokes equation, based on the no-slip boundary condition and overlooking the contribution of the adsorption molecules, fails to precisely predict the hydrogen flow capacity in nanopores. In this paper, hydrogen molecules are classified as bulk molecules and adsorption molecules, and then models for the bulk hydrogen and the adsorption hydrogen are developed separately. In detail, the bulk hydrogen model considers the slip boundary and rarefaction effect characterized by the Knudsen number, while the flow of the adsorption hydrogen is driven by a chemical potential gradient, which is a function of pressure and the essential adsorption capacity. Subsequently, a general model for the hydrogen flow in nanopores is established through weight superposition of the bulk hydrogen flow as well as the adsorption hydrogen, and the key weight coefficients are determined according to the volume proportion of the identified area. The results indicate that (a) the surface diffusion of the adsorption molecules dominates the hydrogen flow capacity inside nanopores with a pore size of less than 5 nm; (b) improving the pressure benefits the bulk hydrogen flow and plays a detrimental role in reducing surface diffusion at a relatively large pressure range; (c) the nanoconfined hydrogen flow conductance with a strong adsorption capacity (PL = 2 MPa) could reach a value ten times greater than that with a weak adsorption capacity (PL = 10 MPa). This research provides a profound framework for exploring hydrogen flow behavior in ultra-tight strata related to adsorption phenomena.