Abstract
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.
Original language | English |
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Pages (from-to) | 11856-11861 |
Number of pages | 6 |
Journal | Physical Chemistry Chemical Physics |
Volume | 15 |
Issue number | 28 |
DOIs | |
Publication status | Published - 28 Jul 2013 |
Externally published | Yes |