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.