The structure–property relationship between ionic
liquids
(ILs) and two chlorinated volatile organic compounds (CVOCs), dichloromethane
(DCM) and 1,2-dichloroethane (DCE), was systematically investigated.
The suitable IL was screened using the COSMO-RS model, and 1-ethyl-3-methylimidazolium
acetate [EMIM][Ac] was considered the optimal absorbent to capture
the two CVOCs. The vapor–liquid equilibrium experiment demonstrates
that the addition of the IL significantly reduces the vapor pressures
of the IL + DCM (or DCE) systems. The structure of ILs on the absorption
performance was investigated by absorption capacity experiments. Then,
the absorption mechanism was investigated through QC calculations
and wavefunction analysis. The consistency between the experiments
and the molecular mechanism reveals that the formation of the hydrogen
bond between the IL and CVOC enhances the absorption process.