Comprehensive dataset for hybrid mesoscopic modeling of adsorption rate dynamics and surface–fluid interactions

A new hybrid mesoscopic RC model has been developed to describe dynamic adsorption cycles on isothermal surfaces. The model has been rigorously validated through three independent campaigns: one inter-model comparison and two validations based on published scientific studies. This article consolidates the reference datasets employed in these validation exercises and provides the computational codes necessary to extract and calibrate the parameters of the proposed model. The results confirm the robustness and general applicability of the hybrid approach, establishing a reliable framework for the simulation and optimization of adsorption/desorption processes across diverse adsorbent systems.