Molecular dynamics simulations of polyethers and a quaternary ammonium ionic liquid as CO2 absorbers

• Published in: The Journal of chemical physics Vol. 148; no. 13; pp. 134908 - 134916
• Main Authors: Cardoso, Piercarlo Fortunato, Fernandez, Juan S. L. C., Lepre, Luiz Fernando, Ando, Rômulo Augusto, Costa Gomes, Margarida F., Siqueira, Leonardo J. A.
• Format: Journal Article
• Language: English
• Published: 07.04.2018

The properties of mixtures of butyltrimethylammonium bis(trifluoromethylsulfonyl)imide, [N4111][NTf2], 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 signi...