| 초록 |
Metal-containing ionic liquids were identified as efficient catalysts for the preparation of propylene carbonate (PC) from CO2 and propylene oxide under mild and solvent free conditions. Density functional theory calculations were performed to provide a rationale for the different catalytic activities of the metal-containing ionic liquid catalysts (MeIm)2MCl2, where M was Fe, Cu, or Zn. (MeIm)2ZnCl2 was the most efficient catalyst for the chemical fixation of carbon dioxide in terms of cost-effectiveness and environmental benignity. Process optimization using response surface methodology was performed, and the interactions between the operational variables were elucidated. The optimum reaction conditions for maximum PC yield were 0.2 (4.6 h), 0.2 (124 °C) and 1 (9 bar) which were obtained by a Box-Behnken design with the minimum number of reaction tests. Under the optimum reaction conditions, the predicted and validated yields of PC were 98.3 and 97.9%, respectively. |
