SO2 capture enhancement due to confined methanol within MIL-53(Al)-TDC

Abstract

The SO₂ capture performance of MIL-53(Al)-TDC was optimised by confining a small amount of MeOH within its pores (MeOH@MIL-53(Al)-TDC). In comparison with fully activated MIL-53(Al)-TDC, MeOH@MIL-53(Al)-TDC shows a 39% higher SO₂ capture capacity. Monte Carlo simulations revealed that such an enhancement is associated with an increase in the degree of confinement via the SO₂ molecules resulting from the formation of a lump (MeOH molecules) in the vicinity of the μ-OH groups.