Contacts:
Supervisor(s):
Prof. Gianluca Ciancaleoni
Title of the PhD project:
Experimental and theoretical studies on storage and utilization of carbon dioxide
Abstract of the PhD project:
Carbon dioxide (CO2) is a detrimental greenhouse gas to the environment and the main contributor to the global warming. Finding efficient methods for CO2 capture and separation still represents a great challenge.
The fulcrum of this project is to develop and characterize CO2 sorbents and strategies for its utilization. The work is conducted combining computational and experimental analyses, aiming at guaranteeing a complete and exhaustive comprehension about the features of the species involved in the whole study.
Regarding the investigation on CO2 sorbents, the work will especially focus on synthesizing different DES systems, developing the most appropriate combination of their components and the most suitable operative conditions for an environmentally friendly CO2 capture. Indeed,
DESs have prominent green properties (almost null toxicity, low volatility and biodegradable) as well as good CO2 affinity.
As concerns the reuse of CO2, an active goal is to reuse carbon dioxide as a renewable onecarbon building block for useful chemicals. Carbon dioxide is stable, but it is reactive in the presence of bases. For this reason, both metal hydrides and metal-free basic systems will be investigated. The crucial step of carbon dioxide activation will be extensively studied, focusing on the insertion of the molecule into σ bonds of the type TM—H (TM=transition metal).
Publications:
• Rossi, E.; Santis, M. D.; Sorbelli, D.; Storchi, L.; Belpassi, L.; Belanzoni, P. “Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine”. Phys. Chem. Chem. Phys., 2020,22, 1897-1910. DOI: https://doi.org/10.1039/C9CP06293A
• Sorbelli, D.; Rossi, E.; Havenith, R. W.A.; Klein, J. E.M.N.; Belpassi, L.; Belanzoni, P. “Gold-Aluminyl and Gold-Diarylboryl Complexes: Bonding and Reactivity with Carbon Dioxide”. Inorg. Chem. 2022, 61, 19, 7327–7337.
DOI : https://doi.org/10.1021/acs.inorgchem.2c00174
• Rollo, M.; Raffi, F.; Rossi, E.; Tiecco, M.; Martinelli, E.; Ciancaleoni, G. “Depolymerization of polyethylene terephthalate (PET) under mild conditions by Lewis/Brønsted acidic deep eutectic solvents”. Chemical Engineering Journal, 2023, 456, 141092.
DOI: https://doi.org/10.1016/j.cej.2022.141092
• Fronduti, M.; Del Giacco, T.; Rossi, E.; Tiecco, M.; Germani, R. “Insights into the structural features of deep eutectic solvents: the eutectic point as an unicum in their physical properties and the surface tension as a method for its determination”. Journal of Molecular Liquids, 379 (2023) 1216792.
DOI: https://doi.org/10.1016/j.molliq.2023.121679
• Rossi, E.; Ciancaleoni, G. “Theoretical Insights into the Reversible CO2 Absorption by Ethylene Glycol/KOH/Boric Acid Low Temperature Transition Mixture”. Journal of Molecular Liquids, 381 (2023) 121843
DOI: https://doi.org/10.1016/j.molliq.2023.121843
Oral communications at conferences:
• “Computational insights into the carbon dioxide-promoted polyethylene terephtalate depolimerization” Rossi, E.; Yang Y.; , Lee, J-W.; Ciancaleoni, G. Macrogiovani 2022, Florence, (Italy) 16th -17th June 2022
Poster communications at conferences:
• “Computational insights into the carbon dioxide-promoted polyethylene terephtalate depolimerization” Rossi, E.; Yang Y.; , Lee, J-W.; Ciancaleoni, G. Chemistry for the Future International Conference, Pisa (Italy) June 29th – July 1st 2022. & XLVIII Congresso Nazionale di Chimica Inorganica, Pisa, 6th- 9th September 2022.
Other achievements:
...
