Chemistry of Solvents for CO_2 Capture

摘要

The chemical reactions involved in CO_2 absorption in amine systems are studied. Reaction mechanisms proposed for the process are reviewed. For each mechanism available experimental data are considered and quantum mechanical calculations carried out. Results suggest that carbamate is formed in a termolecular single-step mechanism. Direct reactions between carbamate species and bicarbonate species are found to be unlikely. Computational chemistry models are also used to discuss the relationship between molecular structure and reactivity towards CO_2.