امیرعباس ایزدپناه

In this work, sPC-SAFT EoS was considered for the modeling of CO2 in ionic liquids. Three nonassociating parameters of ionic liquids (i.e., the segment number, the segment hard-sphere diameter and dispersion energy parameter) have been obtained by fitting the model to the experimental data on liquid densities over a wide range of temperature at atmospheric pressure. Two associating parameters of ionic liquids (i.e., the association energy, and the association volume) were taken from literatures. Ionic liquids used in this work included 1-alkyl-3-methylimidazolium tetrafluoroborate and 1-alkyl-3-methylimidazolium hexafluorophosphate. At first density calculation for ionic liquids were done for both associating and nonassociating schemes of ionic liquids at atmospheric pressure and higher pressures, Then the parameters of ionic liquids were fitted based on molecular weight and molecular structure of the solvents. Linear relationship between molecular parameters and molecular weight of each family of ionic liquids studied in this research was obtained. Finally the solubility of CO2 in ionic liquids over a wide range of temperature and pressure for non associating, associating and cross associating cases were studied. The binary interaction parameter were obtained by fitting the experimental data of bubble point pressure. This parameter is temperature-dependence and has linear correlation with temperature.When ionic liquid considered as associating molecule, the obtaining results were in good agreement with experimental data.