Journal of Environmental Chemical Engineering, Volume 12, Issue 2 , 01/04/2024
Integrated experimental and theoretical studies for unravelling CO2 capture of dual function CeO2-CaO bio-based sorbents
Abstract
Solid CaO-based sorbents for CO<inf>2</inf> capture represent a promising alternative technology compared to traditional amine scrubbing methods. However, CaO-based sorbents are rapidly sinter and easily decrease CO<inf>2</inf> uptake capacity with regenerated carbonation–calcination cycle. Thus, in this study, doping CaO with CeO<inf>2</inf> make it an excellent candidate for improving stability and facilitating CO<inf>2</inf> capture efficiency. The dual function of CaO bio-based sorbents with varying ratios of cerium (Ce) were derived from naturally occurring blood clam using the gel-combustion method. Their nanostructures and physicochemical properties were characterized through the specific methods, including in situ XAS, CO<inf>2</inf> chemisorption and physisorption, XPS, XRD, and SEM. An in-depth understanding of CO<inf>2</inf> adsorption mechanism was further emphasized using a density functional theory (DFT) simulation. The results demonstrate that nanosized CeO<inf>2</inf>-CaO, with a mole ratio of 1:9, exhibited the highest performance for CO<inf>2</inf> capture (6.44 mmol CO<inf>2</inf>/g sorbent). It is postulated that Ce serves as a physical barrier, effectively partitioning adjacent CaO grains and thereby diminishing the sintering rate. CaO is identified as the primary adsorption site, in contrast to CeO<inf>2</inf>. Mixing the Ce-Ca dual oxide initiates the electron-rich O at the O’ site. The electron localization at the O’ active site improves the activity of O’, making the performance CeCa(200) for capturing CO<inf>2</inf> capture dominant. This discovery suggests that CeO<inf>2</inf>-CaO holds promise as a sustainable alternative sorbent for future CO<inf>2</inf> capture applications.
Document Type
Article
Source Type
Journal
Keywords
Blood clam shellCaOCeO2CO2 adsorptionDFTin situ XAS
ASJC Subject Area
Environmental Science : Environmental Science (miscellaneous)Chemical Engineering : Chemical Engineering (miscellaneous)Chemical Engineering : Process Chemistry and TechnologyEnvironmental Science : PollutionEnvironmental Science : Waste Management and DisposalChemical Engineering : Chemical Engineering (all)Engineering : Engineering (all)
Funding Agency
Quest High Performance Computing
Phanthasri, J., Saelee, T., Sosa, N., Youngjan, S., Samart, N., Rittiruam, M., Khajondetchairit, P., ... Khemthong, P. (2024). Integrated experimental and theoretical studies for unravelling CO2 capture of dual function CeO2-CaO bio-based sorbents. Journal of Environmental Chemical Engineering, 12(2) doi:10.1016/j.jece.2024.112412