Total-pressure vapor-liquid equilibrium data for binary systems of nitromethane with ethyl acetate, acetonitrile and acetone

Abstract

Total-pressure vapor-liquid equilibrium (VLE) data are reported at approximately 298, 348, and 398 K for each of three nitromethane binaries with ethyl acetate, acetonitrile, and acetone as the other components. The experimental PTx data were reduced to y¡, ;, and GE values by both the Mlxon-Gumowskl-Carpenter and the Barker methods, but only the Mixon et al. results are reported In their entirety. Seven GE correlations were tested In the Barker data reduction with the five-constant Redllch-KIster equation giving the best results. The effect of the equation of state used to estimate the vapor-phase fugaclty coefficients was Investigated.

Vapor Pressures of Acetonitrile Determined by Comparative Ebulliometry

“…Below the normal boiling temperature (354 K), the majority of the results are within 1% of our work, but results obtained by Hall and Baldt 19 are lower by up to almost 7%, while those obtained by Owens et al are too high by about 3%. Near room temperature, Francesconi et al lies above our equation by almost 6% (to give a total span of more than 12% in the literature data) but is lower by between 1 and 4% above 350 K. Mousa also lies 4% below our work near the critical state but by 6% at 440 K.

4 Fractional deviations Δln p = Δ p / p of the vapor pressure of acetonitrile from eq 6: ·, this work included in the regression; ○, this work excluded from the regression; , Trejo et al critical point; ◇, Kratzke et al; ▪, Mousa; ▴, Francesconi et al; +, Putnam et al; ▿, Dojcansky; ▵, Meyer; ◆, Hall et al; □, Heim; ▾, Warowny; ×, DiElsi et al; |, Wilson; −, Smith et al; − *, Owens; solid line, Dykyj et al; dot-dashed line, Yaws; dashed line, DIPPR Project

…”

Quantifying the effect of polarity on the behavior of mixtures of n‐alkanes with dipolar solvents using polar soft‐statistical associating fluid theory (Polar soft‐SAFT)

“…VLE of binary mixtures of n ‐alkanes, n ‐pentane (○) n ‐hexane (□), n ‐heptane (∆), with low dipolar strength fluids, (a) dichloromethane at T = 298 K, and (b) tetrahydrofuran at P = 0.101 MPa. Polar soft‐SAFT predictions (solid lines), and polar soft‐SAFT calculations with ξ = 0.997 (dashed lines) compared to experimental data of mixtures with dichloromethane 64‐68 and tetrahydrofuran 69‐71 (symbols). See text for details [Color figure can be viewed at wileyonlinelibrary.com]…”

“…Conversely, extending polar and nonpolar models of chloroform to binary mixtures with n-alkanes resulted in a different behavior as shown in Figure 3b, contrary to the earlier results with 1-hexene. The predictions from polar soft-SAFT for the VLE of chloroform, modeled as a polar fluid, with n-hexane (T = 318), 60 n-heptane (T = 298 K), 61 and n-decane (T = 298 K) 62 Polar soft-SAFT predictions for modeling binary mixtures of npentane and n-hexane with dichloromethane at 298 K, 64,65 shown in Figure 4a, are highly accurate in representing the experimental VLE behavior, in particular capturing the azeotrope of DCM + n-pentane, even at other conditions [64][65][66][67][68] (see Figure S7 in the Supporting Information). Similarly, as seen in Figure 4b, polar soft-SAFT provides accurate predictions of the VLE experimental behavior of binary mixtures of n-pentane, n-hexane, and n-heptane with tetrahydrofuran at 0.101 MPa, [69][70][71] with a high level of accuracy, slightly underestimating the azeotropic pressure of THF + n-hexane with a relative deviation of 1.9%.…”

“…Polar soft-SAFT predictions for modeling binary mixtures of npentane and n-hexane with dichloromethane at 298 K, 64,65 shown in Figure 4a, are highly accurate in representing the experimental VLE behavior, in particular capturing the azeotrope of DCM + n-pentane, even at other conditions [64][65][66][67][68] (see Figure S7 in the Supporting Information). Similarly, as seen in Figure 4b, polar soft-SAFT provides accurate predictions of the VLE experimental behavior of binary mixtures of n-pentane, n-hexane, and n-heptane with tetrahydrofuran at 0.101 MPa, [69][70][71] with a high level of accuracy, slightly underestimating the azeotropic pressure of THF + n-hexane with a relative deviation of 1.9%.…”

“…These excellent results obtained in mixtures of 2-ketones, primarily acetone, with n-alkanes demonstrate the robust framework of polar soft-SAFT considering all the predictions (VLE/LLE of acetone + n-alkanes, and VLE of other 2-ketones + nalkanes) are done using a single binary parameter independent of both temperature and n-alkane, fitted at a single high temperature isotherm from VLE of acetone + n-pentane.F I G U R E 4 VLE of binary mixtures of n-alkanes, n-pentane () n-hexane (□), nheptane (Δ), with low dipolar strength fluids, (a) dichloromethane at T = 298 K, and (b) tetrahydrofuran at P = 0.101 MPa. Polar soft-SAFT predictions (solid lines), and polar soft-SAFT calculations with ξ = 0.997 (dashed lines) compared to experimental data of mixtures with dichloromethane[64][65][66][67][68] and tetrahydrofuran[69][70][71] (symbols). See text for details [Color figure can be viewed at wileyonlinelibrary.com] F I G U R E 5 Phase equilibria of binary mixtures of acetone with n-alkanes, (a) VLE with n-butane at 330 K 72 (◊), npentane at 373 K 73 (), (b) VLE at 313 K 74 with n-hexane (□), n-heptane, and noctane.…”