Compared to room temperature adsorption, cryo-adsorptive hydrogen storage capacity has been greatly improved, and has become the central issue of the hydrogen storage research. Accurate simulation and optimization for cryo-adsorptive hydrogen storage has important guidance and application value to the experimental research, and the finite element software Comsol Multiphysics (TM) and system analysis software Matlab/Simulink (TM) can be used to simulate the cryo-adsorptive hydrogen storage. However, the computational fluid dynamics (CFD) software Fluent (TM) can provide more information on the heat and mass transfer and the fluid flow than above softwares. Based on the mass, momentum and energy conservation equations, this paper uses the modified Dubinin-Astakhov (D-A) adsorption isotherm model, linear driving force (LDF) model and dynamic thermal boundary condition which are implemented by means of CFD software Fluent to simulate the hydrogen adsorption processes of charging and dormancy in the case of liquid nitrogen cooling. We study the variations of temperature and pressure during the processes of charging and dormancy. The results show that the experimental data is in good agreement with the simulation results. We also analyze the effect of variable specific heat and anisotropic thermal conductivity on the heat and mass transfer and the fluid flow in cryo-adsorptive hydrogen storage system. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.