Molecular simulations of imidazolium-based ionic liquids with [l-lactate]− anion and the binary mixture of [bmim][l-lactate] and 1-octanol

► Molecular dynamics simulations for imidazolium-based ILs with [l-lactate]− anion. ► Strong hydrogen bonding interactions between cation and anion are found. ► Binary mixture of [bmim][l-lactate] + 1-octanol. ► Volumetric properties of the binary mixture are studied. ► Participation of 1-octanol weakens the strength of interaction of cation-anion.