José N. Canongia Lopes

Structural and energetic signatures of SO2 and CH4 incorporation in imidazolium-based ionic liquids

A systematic molecular dynamics study of sulfur dioxide (SO2) and methane (CH4) incorporation in 24 imidazolium-based ionic liquids is presented, spanning different anion families and cation alkyl chain lengths. The two gases represent limiting cases of solvation behavior in ioni...