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13C NMR spectroscopy of a novel amine species in the DEAB-CO2-H2O system: VLE model

Abstract

In the present work, ion speciation studies in solutions of the novel amine 4-(diethylamine)-2-butanol (DEAB), at various CO 2 loadings (0–0.8 mol of CO 2 /mol of amine) and amine concentrations (0.52–1.97 M), were determined by 13 C nuclear magnetic resonance (NMR) spectroscopy. In addition, the dissociation constant K of DEABH + was determined at 24.5, 35, and 45 °C using a pH meter. The ion speciation plot, which contains various sets of concentrations of DEAB, protonated DEAB, bicarbonate, and carbonate, was successfully generated. Because DEAB is a novel solvent, this is the first time that the ion speciation plots of the DEAB–CO 2 –H 2 O system have been developed. It is also the first time that the 13 C NMR calibration technique was applied to develop the vapor–liquid equilibrium (VLE) model for an amine–CO 2 –H 2 O system. The results obtained from the present work can be a great help for the further analysis of the DEAB VLE model, as well as CO 2 absorption and kinetics studies. Furthermore, it was found that the novel 13 C NMR calibration technique developed in this work provides higher accuracy than the conventional technique.

Publication details

  • Authors: Shi, H., Sema, T., Naami, A., Liang, Z., Idem, R., Tontiwachwuthikul, P.
  • Published in: (2012) Industrial and Engineering Chemistry Research, 51 (25), pp. 8608-8615.
  • Year: 2012
  • DOI: 10.1021/ie300358c