In this work, we simulated a single-bed 4-step temperature swing adsorption-oxidation (TSAO) process for capture and in situ oxidation of benzene, as a model VOC, over Ni/ZrO2-SiO2, as a dual-function material (DFM). The TSAO cycles consisted of adsorption, preheating, desorption/oxidation, and cooling steps. The model sensitive parameters were estimated via parameter estimation and validated against experimental data. Extensive parametric analysis was carried out to investigate the effects of key process variables on the TSAO performance. Model results revealed relatively good prediction of the process. Under the conditions investigated, adsorption, oxidation and total removal efficiencies were estimated to be 76, 84 and 66%, respectively. It was also established that the proposed 4-step cyclic TSAO could be reduced to a 3-step TSAO process consisting of adsorption, heating/desorption/oxidation, and cooling steps without any loss in performance. Finally, it was demonstrated that indirect convective cooling is far superior to direct feed cooling.


Chemical and Biochemical Engineering


National Science Foundation, Grant CBET-1802049

Keywords and Phrases

Numerical modeling; Process performance; Removal efficiency; TSAO; VOC

International Standard Serial Number (ISSN)


Document Type

Article - Journal

Document Version

Final Version

File Type





© 2023 Elsevier, All rights reserved.

Publication Date

15 Mar 2022