PρT Measurements of Imidazolium-Based Ionic Liquids

Abstract

Experimental density measurements are reported, and the derived thermodynamic properties, such as the isothermal compressibility, the isobaric expansivity, and the thermal pressure coefficient are presented as Supporting Information for several imidazolium-based ionic liquids (ILs), namely, 1-ethyl-3-methyl-imidazolium bis-(trifluoromethylsulfonyl)imide [C 2 mim][NTf 2 ], 1-heptyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [C 7 mim][NTf 2 ], 1-octyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [C 8 mim][NTf 2 ], 1-ethyl-3-methylimidazolium tetrafluoroborate [C 2 mim][BF 4 ], and 1-butyl-3-methyl-imidazolium tricyanomethane [C 4 mim][C(CN) 3 ] in the pressure (0.10 < p/MPa < 30.00) and temperature (293.15 < T/K < 393.15) domains. These ILs were chosen to provide an understanding of the influence of the cation alkyl chain length and the anion influence on the properties under study. Experimental densities are correlated with the Tait equation with an average absolute deviation (AAD) less than 0.04 %. Experimental densities are in good agreement with the densities obtained by some recent predictive methods proposed in the literature.

Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion

“…The relative standard uncertainty 2.2 % was accepted for the mixture properties. Figure 1 -Comparison of the current experimental density values ( )vs. temperaturewith literature valuesfor pure: (a) aniline-( )Vogel et al [39]; ( )Sumer et al [40];( )Katz et al [41];( )Kumar et al [42];( )Almasi et al [43];( )Costello et al [44]; (⌧) MacNeilet al [45]; ( ) Alonso et al [29]; (b)N,N-dimethylaniline -( )Costello et al [44]; ( )Vogel et al [39]; ( ) Oskoei et al [46]; ( ) Saleh et al [47]; ( ) Pandiyan et al [48]; ( )Katz et al [41]; ( )Kumar et al [42];(⌧) Radwanet al [49]; ( ) Kondaiah et al [50]; ( ) MacNeil et al [45]; ( )Zubinand Naved [33];(c) [bmim][OTf] -( )Vercher et al [51];( )Montalbán et al [52];( )Soriano et al [53];( )Tokuda et al [54];( )Gardas et al [55]; ( ) Fredlake et al [56]; (⌧) Klomfar et al [57];( )Shamsipur et al [58];( )Mbondo et al [59]; ( )Batista et a. [60];( )McHale et al [61]; () Arce et al [34];(d) [bmim][NTf2] -( )Hiraga et al [62]; ( )Kanakubo et al [63]; ( ) de Castro et al [64]; ( ) Jacquemin et al [65]; ( ) Widowati et al [66]; ( ) Currás et al [67]; ( ) Azevedo et al …”

- Accurate Force Fields for Molecular Simulation

“…While the correlation cannot distinguish which reference density might be correct, the lines associated with the calculations suggest that the compression data of Gardas, et al (Gardas et al 2007) may be more reliable at lower temperatures, though they are between the slopes from the data at higher T.…”

“…It has been shown that models for DCFIs can lead to successful models for solution properties ( Gardas et al 2007) and ( ) from Jacquemin, et al (Jacquemin et al 2007). Calculations of p using Equation 9.6 with p 0 , 0 and from Jacquemin, et al (Jacquemin et al 2007) ( ) and from Gardas, et al (Gardas et al 2007 Symbols for data of Simnick, et al, (Simnick et al 1979a) ( regression of temperature dependence of Henry's Constant in Equation 9.26, (---) prediction using Equation 9.34 with Henry's Constant for methane in quinoline fitted to data of of Simnick, et al (Simnick et al 1979b).…”

“…Calculations of p using Equation 9.6 with p 0 , 0 and from Jacquemin, et al (Jacquemin et al 2007) ( ) and from Gardas, et al (Gardas et al 2007 Symbols for data of Simnick, et al, (Simnick et al 1979a) ( regression of temperature dependence of Henry's Constant in Equation 9.26, (---) prediction using Equation 9.34 with Henry's Constant for methane in quinoline fitted to data of of Simnick, et al (Simnick et al 1979b). Arrows indicate prediction at T = 462 K is not accurate.…”

“…The agreement is normally better than comparable methods (Paduszynski and Domanska 2012). Figure 9.2 shows that the measurements by different workers (Gardas et al 2007;Jacquemin et al 2007) are different for both the reference densities and compressibilities, since the low pressure intercepts and the slopes of the lines are not the same.…”