To model the PSA cycle, we use a set of partial differential equations (PDEs) from Yancy-Caballero et al. , describing mass, energy, and momentum balances in columns, coupled with the linear driving force (LDF) model and the dual-site Langmuir (DSL) model. The PDEs and boundary conditions for different PSA steps are provided in Table . The finite-volume method with a weighted-essentially non-oscillatory scheme is used to describe these balances discretely in space, reducing the PDEs to time-dependent ordinary differential equations (ODEs). Each PSA model runs using the MATLAB routine ode15s 57 until the system reaches the Cyclic Steady State (CSS). The system is considered at CSS when normalized variables (gas uptake, adsorbate composition in the gas phase, pressure, and temperature) at the final condition of the last PSA step are within a tolerance of 10 -4 of the initial condition of the first PSA step.