Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as CO absorbers.

The properties of mixtures of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [N][NTf], with poly(ethyleneglycol) dimethyl ether, PEO, were described as a function of PEO chain size by molecular dynamics simulations. Both PEO chain size and mixture composition revealed to play a significant role in determining the structure and the dynamics of the fluids. The remarkably higher viscosity observed for mixtures composed by 0.