COO. To determine the coefficients in nonlinear polynomial expansion equations, genetic algorithms were adapted. The calculated results gave a reasonable correlation accuracy of ionic conductivity and viscosity. After building the polynomial expansion equations, quantitative analyses were done for each descriptor, and the physicochemical meaning of each descriptor was examined. These results suggest that the ionic conductivity of each ionic liquid is governed not only as a liquid electrolyte but also as a solid electrolyte.
Isobaric vapor−liquid equilibria were measured for the ternary system ethanol + water + ethylene glycol and its three constituent binary mixtures at 101.3 kPa using a modified Rogalski−Malanoski equilibrium still. The thermodynamic consistency of experimental binary data was checked using the point and area tests. The experimental binary data were then correlated by the Wilson, nonrandom two-liquid (NRTL), and universal quasichemical activity coefficient (UNIQUAC) equations. The ternary vapor− liquid equilibria data were predicted using the binary parameters for the three equations with good accuracy. The selectivity of ethylene glycol as entrainer for the separation of the azeotropic system ethanol + water by extractive distillation was discussed using the NRTL parameters.
Predictive models for representing the ionic conductivity and viscosity of ionic liquids (ILs) were constructed using a polynomial expansion model, coupled with descriptors of group contribution type. These equations could be applied to cations of alkyl amine, pyrole, piperidine, pyridine, imidazole and pyrazole, with the following anions: TFSI, Br, Cl, PF 6 , BF 4 , CF 3 SO 3 , CF 3 BF 3 , and C 2 F 5 BF 3. To determine coefficients in non-linear equations, genetic algorithms were adapted. Calculated results gave good correlation accuracy of ionic conductivity and viscosity. An examination of the predictive performance was also attempted by comparing the calculated with experimental values not used for the determination of the parameters.
Vapor-llquld equlllbrlum data for acetone + chloroform + benzene and for the three constltuent binary systems acetone + chloroform, chloroform + benzene, and benzene + acetone have been measured at 101.3 kPa by using a dynamlc equlllbrlum still. The experlmental data have been correlated and predlcted to appreciable accuracy urlng the Wilson equation.
I ntroductlonThis paper deals with the measurement of vapor-liquid equilibria (VLE) at 101.3 kPa for the ternary system acetone + chloroform + benzene and the three constituent binary systems. I t also discusses correlation and prediction of experimental VLE data using the Wilson equation (7). Moreover, it compares our binary data with the predictions of evaluated Wilson parameters (2) and Reinders' data (3) with the predictions of our parameters.
Experimental SectionAmaratus and Procedure. A liquid-vapor ebullition type equilibrium stili, described in detail in ref 4, was used for measuring VLE. The still has two ebuiliometers connected in series. Two electric heaters were wed, one in the liquklphase and the other in the vapor-phase boiling vessels.Vapor and liquid equilibrium compositions were determined by using a Shimazu gas chromatograph type GC3BT equipped with a thermal conductMty cell. PEG 1500 was used as column packing and helium as the carrier gas at a flow rate of 33 cm3 min-'. The column temperature was maintained at 338 K. Compositions were determined to better than 1 % by the relative area method (5). The equilibrium temperature was measured with an accuracy of 0.01 K by using a Hewlett-Packard quartz thermometer Model 2804A, calibrated at the triple point of water. The pressure in the still was measured by a Fortin type mercury barometer. Since the barometric pressure changed slightly, the experimental temperatures were corrected to 101.3 kPa.Matdab. Acetone, chloroform, and benzene were special grade pure reagents, supplied by Wako Pure Chemicals Co. Acetone was used after its minute water content was removed with calcium sulfate, using molecular sieves 3A. Chloroform was treated with sulfwic acid, neutralized with sodium hydroxide, washed with water, dried overnight on potassium carbonate, and then distilled. The purities of the materials were checked by gas chromatographic analysis and found to be better than 99.9 mol %. The densities and normal boiling points of the purified reagents are shown in Table I. -1 0 -0 0 0.5 1 X1 Flguro 1. Vapor-phase mole fraction y l and activity coefficients y, for the binary system acetone (1) + chloroform (2) at 101.3 kPa as a function of llqukl-phase mole fraction x 1: (e) experimental values.The curves are calculated by using Wilson equation.
Experlmental ResultsBhary Systems. Table I1 and Figures 1-3 show the experimental VLE data at a pressure P = 10 1.3 kPa for the three systems acetone + chloroform, chloroform + benzene, and 002 1-956819 1 I 1 736-0343$02.50/0 I 0 0 0 5 1 0 X 1 Flguro 2. Vapor-phase mole fraction y 1 and actlvity coefflcknts y, for the blnary system chloroform (1) + benzene (2) at 101.3 kPa ...
Isothermal vapor−liquid equilibria were measured for the ternary system water + 2-aminoethanol +
dimethyl sulfoxide and its three constituent binary mixtures at 363.15 K. The apparatus used was a
modified Rogalski−Malanoski equilibrium still. The experimental binary data were correlated by the
NRTL equation. The ternary system was predicted using the binary NRTL parameters with good accuracy.
The solubility of salicylic acid in water, methanol, ethanol, ethyl acetate, polyethylene glycol (PEG) 300, and 1,4-dioxane and in various binary solvent mixtures, methanol + water, ethanol + water, ethanol + ethyl acetate, PEG 300 + water, and 1,4-dioxane + water, were determined using high-performance liquid chromatography (HPLC). The experimental solubility data were correlated by two local composition models: modified Wilson and nonrandom two-liquid (NRTL) 1.
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