A new fragment contribution‐corresponding states method for physicochemical properties prediction of ionic liquids

Abstract

A new fragment contribution-corresponding states (FC-CS) method based on the group contribution method and the corresponding states principle is developed to predict critical properties of ionic liquids (ILs). There are 46 fragments specially classified for ILs considering the ionic features of ILs, and the corresponding fragment increments are determined using the experimental density data. The accuracy of the developed method is verified indirectly via predicting density and surface tension of ILs. The results show that the FC-CS method is reasonable with an average absolute relative deviation less than 4%. With the calculated critical properties, corresponding states heat capacity (CSHC) and corresponding states thermal conductivity (CSTC) correlations are proposed to predict heat capacity and thermal conductivity of ILs, respectively. The predicted results agreed well with the experimental data. The proposed FC-CS method and the two corresponding states correlations are important for design, simulation, and analysis of new ionic liquid processes.

Gas–liquid mass‐transfer properties in CO2 absorption system with ionic liquids

“…[5][6][7] Brennecke's research group 8 first reported that CO 2 showed excellent solubility in IL [bmim] [PF 6 ] in 1999, reaching a 0.72 mole fraction at 313 K and 9.3 MPa. Zhang's research group 9 measured the solubilities of CO 2 in a series of conventional imidazoliumbased tetrafluoroborate ILs.…”

Computer‐aided design of ionic liquids as solvents for extractive desulfurization

“…In the present work, Aspen Plus V8.8 is employed for process simulation and the extended UNIFAC‐IL model is selected for activity estimation. The required information for defining the identified best five IL candidates as pseudo‐components in Aspen Plus (see Supporting Information Table S5) is obtained using the fragment contribution‐corresponding states method proposed by Huang et al For comparison, two continuous extraction processes are designed with ILs and sulfolane as the reference solvent. The corresponding process flow sheets are shown in Figure .…”

Solubility Measurement and Process Simulation of CO2/CH4 Gas Mixtures Using Ionic Liquids

“…The physical properties of ILs, including density, viscosity, surface tension, heat capacity and critical properties, are estimated by a ionic fragment contribution-corresponding states (FCCS) method and the corresponding states principle, and the details is described in our previous work (Huang et al, 2013). The physical properties of ILs, including density, viscosity, surface tension, heat capacity and critical properties, are estimated by a ionic fragment contribution-corresponding states (FCCS) method and the corresponding states principle, and the details is described in our previous work (Huang et al, 2013).…”