The effect of SO2 on CO2 capture in zeolitic imidazolate frameworks.

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.