Department of Chemical Engineering, University of Surrey, Guildford, GU2 7XH, UK.
Phys Chem Chem Phys. 2013 Jul 28;15(28):11856-61. doi: 10.1039/c3cp51003d. Epub 2013 Jun 13.
The CO2 capture performance of four zeolitic imidazolate frameworks (ZIFs), ZIF-10, ZIF-71, ZIF-68 and ZIF-69, was investigated in the presence of SO2 using molecular simulations. Our results show that SO2 is preferentially adsorbed over CO2. However, it also shows a cooperative effect on CO2 adsorption. In ZIF-10 and ZIF-71, the SO2 presence was found to have almost no effect on CO2 adsorption. In ZIF-68 and ZIF-69, although the two ZIFs adsorbed large amounts of SO2, the decrease in CO2 uptake was relatively small due to the cooperative interaction between the SO2 and CO2 molecules.
使用分子模拟研究了四种沸石咪唑酯骨架材料（ZIFs），即 ZIF-10、ZIF-71、ZIF-68 和 ZIF-69 在存在 SO2 时的 CO2 捕获性能。我们的结果表明，SO2 优先于 CO2 被吸附。然而，它对 CO2 吸附也表现出协同作用。在 ZIF-10 和 ZIF-71 中，发现 SO2 的存在对 CO2 吸附几乎没有影响。在 ZIF-68 和 ZIF-69 中，尽管这两种 ZIFs 吸附了大量的 SO2，但由于 SO2 和 CO2 分子之间的协同相互作用，CO2 吸附量的下降相对较小。
