TY - JOUR
T1 - Modeling gas solubilities in imidazolium based ionic liquids with the [Tf2N] anion using the GC-EoS
AU - Pereda, Selva
AU - Raeissi, Sonia
AU - Andreatta, A.E. (Alfonsina)
AU - Bottini, Susana B.
AU - Kroon, Maaike
AU - Peters, Cor
PY - 2016
Y1 - 2016
N2 - The group contribution equation of state (GC-EoS) is extended to model gas solubilities in the homologous 1-alkyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl) imide family. The gases considered in this work are CO2, CO, H2, CH4, and C2H6. The model parameters were estimated on the basis of 1400 experimental data points in the temperature range of 278–460 K and pressures up to 160 bars. A correlation is also presented to calculate the critical diameter, a characteristic parameter of the GC-EoS repulsive term, as a function of the ionic liquid molar volume. Density data is most often available for ionic liquids; hence, the correlation provides a predictive method for ionic liquids not included in the parameterization process. The new parameters were then used to predict the phase behavior of binary mixtures containing different solutes (including C3H8, C4H10, and C6H14) and ionic liquids with different chain lengths than those used in the parameterization process.
AB - The group contribution equation of state (GC-EoS) is extended to model gas solubilities in the homologous 1-alkyl-3-methylimidazolium bis(trifluoromethyl-sulfonyl) imide family. The gases considered in this work are CO2, CO, H2, CH4, and C2H6. The model parameters were estimated on the basis of 1400 experimental data points in the temperature range of 278–460 K and pressures up to 160 bars. A correlation is also presented to calculate the critical diameter, a characteristic parameter of the GC-EoS repulsive term, as a function of the ionic liquid molar volume. Density data is most often available for ionic liquids; hence, the correlation provides a predictive method for ionic liquids not included in the parameterization process. The new parameters were then used to predict the phase behavior of binary mixtures containing different solutes (including C3H8, C4H10, and C6H14) and ionic liquids with different chain lengths than those used in the parameterization process.
U2 - 10.1016/j.fluid.2015.10.037
DO - 10.1016/j.fluid.2015.10.037
M3 - Article
SN - 0378-3812
VL - 409
SP - 408
EP - 416
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
ER -