A study of the applicability of the Nonlinear Frequency Response (NFR) approach for investigation of equilibrium and kinetics of gas adsorption, based on numerical simulations, is presented. Pressure responses of a batch adsorber are simulated, using literature data, for a sinusoidal volume change with different input amplitudes, up to 10%, around several steady-state points. The procedure for application of the NFR approach is demonstrated step-by-step, using the simulated pressure responses. As a result, quasi-experimental first- and second-order FRFs are estimated and used for estimation of the equilibrium and kinetic parameters of the adsorption system. The estimated parameters agree well with the original ones used for simulations. Influence of noise on the accuracy of the estimated FRFs and model parameters is also analyzed. The results of this study show that the application of the NFR approach for investigation of equilibrium and kinetics of gas adsorption in a batch system is feasible. Furthermore, valuable information regarding the design of the NFR equipment and experiments is gained.