NMR study and quantum mechanical calculations on the 2-[(2-aminoethyl)amino]-ethanol-H2O-CO2 system |
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| Authors: | Jakobsen Jana P da Silva Eirik F Krane Jostein Svendsen Hallvard F |
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| Affiliation: | Department of Chemical Engineering, Norwegian University of Science and Technology, 7491 Trondheim, Norway. |
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| Abstract: | 13C and 1H NMR spectra were obtained for AEEA (2-[(2-aminoethyl)amino]-ethanol)-H2O-CO2 systems and quantum mechanical calculations were carried out for the different AEEA species. The results suggest that the main AEEA species under the conditions studied are free amine, primary carbamate, and secondary carbamate. There is also some indication that a dicarbamate species is formed, this species does however only appear to be formed in small amounts. Comparison between experimental data and quantum mechanical calculations suggest that most AEEA species take on conforms with some degree of intramolecular hydrogen bonding. |
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| Keywords: | CO2 absorbent NMR Quantum mechanical calculations Protonation shifts Speciation |
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