Density modeling of ionic liquids using PC-SAFT Equation of State

The perturbed-chain statistical associating fluid theory (PC-SAFT) is re-parameterized for ionic liquids (ILs) by using the experimental density data over a wide range of temperature atatmospheric pressure presented. In this work, we focused on the most frequently studied imidazolium based ILS. The studied systems included (1-alkyl-3-methylimidazolium tetrafluoroborate ([Cnmim][BF4]), 1-alkyl-3-methylimidazolium hexafluoroborate ([Cnmim][PF6]), 1-alkyl-3-methylimidazolium bistrifluoromethylsulfonylimide ([Cnmim][Tf2N]) and 1-alkyl-3-methylimidazolium trifluoromethanesulfonate ([Cnmim][CF3SO3])). In all cases, good agreement withexperimental data is obtained. Then we use the optimized PC-SAFT parameters for calculating thedensities of 1-Butyl-3-methylimidazolium Tetrafluoroborate [C2mim][BF4], from 0.01 to 40 MPa andfrom 293 to 323 K.

کلیدواژه ها:

PC-SAFT ، equation of state ، ionic liquids ، vapor-liquid equilibrium ، modeling