1
Chemical Engineering, Iran University of Science and Technology
2
Iran University of Science and Technology
10.22034/ijche.2026.573858.1585
Abstract
In this study, dynamic modeling of two-component adsorption of CO2 / N2 in a fixed bed column with a CALF-20 metal-organic framework is presented. The process was modeled under isothermal conditions at 25°C and 1 bar pressure with different input compositions. Mass transfer kinetics were described using the linear driving force (LDF) model. The multicomponent adsorption equilibrium was calculated based on single-component isotherms using the ideal solute adsorption theory (IAST). Partial differential equations were solved using upstream finite difference method using the third-order Runge-Kutta method. The grid independence study showed that 100 axial nodes and a time step of 0.01 s provide acceptable results with an error of less than 1%. The model was validated with experimental penetration data and the average deviation was observed to be less than 5%. Key performance indicators including working capacity (2.24 mol/kg), dynamic selectivity (about 320), bed efficiency (3.95%), unused bed length (1.49 cm) and mass transfer zone length (2.32 cm) were calculated. The results show that CALF-20 has high selectivity and capacity in CO₂ separation from N₂-rich streams. The developed model can be used as an initial step in the conceptual design of industrial units by adding a thermal model and investigating PSA/TSA cycles.
Khodadadi,M S and Ghaemi,A . (2026). Dynamic modeling of fixed bed bicomponent CO₂/N₂ adsorption with CALF-20 adsorbent. (e246861). Iranian Chemical Engineering Journal, (), e246861 doi: 10.22034/ijche.2026.573858.1585
MLA
Khodadadi,M S , and Ghaemi,A . "Dynamic modeling of fixed bed bicomponent CO₂/N₂ adsorption with CALF-20 adsorbent" .e246861 , Iranian Chemical Engineering Journal, , , 2026, e246861. doi: 10.22034/ijche.2026.573858.1585
HARVARD
Khodadadi M S, Ghaemi A. (2026). 'Dynamic modeling of fixed bed bicomponent CO₂/N₂ adsorption with CALF-20 adsorbent', Iranian Chemical Engineering Journal, (), e246861. doi: 10.22034/ijche.2026.573858.1585
CHICAGO
M S Khodadadi and A Ghaemi, "Dynamic modeling of fixed bed bicomponent CO₂/N₂ adsorption with CALF-20 adsorbent," Iranian Chemical Engineering Journal, (2026): e246861, doi: 10.22034/ijche.2026.573858.1585
VANCOUVER
Khodadadi M S, Ghaemi A. Dynamic modeling of fixed bed bicomponent CO₂/N₂ adsorption with CALF-20 adsorbent. Iranian Chemical Engineering Journal. 2026;():e246861 (In Persian). doi: 10.22034/ijche.2026.573858.1585