Journal of Chemical & Engineering Data Article

Table 1. CAS Registry Number, Mass Fraction Purity, and Boiling Temperature (Tb) of the Chemicals
Tb/Kb
component CAS Reg. No. suppliers mass fraction this work literature analysis method
methyl acetate 79-20-9 Tianjin Guangfu Fine Chemical Research Institute 0.990 330.2 329.34 23
GCa
isobutyl acetate 110-19-0 Shanghai Macklin Biochemical Co., Ltd. ≥0.990 389.55 389.7524 GCa
isopentyl acetate 123-92-2 Shanghai Macklin Biochemical Co., Ltd. ≥0.990 415.15 415.3014 GCa
p-xylene 106-42-3 Tianjin Kemiou Chemical Reagent Co., Ltd. ≥0.990 411.49 411.456 GCa
a
Gas chromatograph. bThe pressure for the measurement of boiling temperature was 101.3 kPa; the standard uncertainties, u, of P and T are u(P)
= 0.1 kPa and u(T) = 0.1 K.

vapor phase intimately contacted with the liquid phase to ensure Table 3. Experimental VLE Data for the Binary System of
the complete mixing. The equilibrium state was achieved when Methyl Acetate (1) + Isopentyl Acetate (2), Activity
the system temperature was kept constant for at least 60 min. Coefficient (γ), and Gibbs Energy (GE) at 101.3 kPaa
The details of the VLE measurement were presented in the
T/K x1 y1 γ1 γ2 GE/(J·mol−1)
literatures.26−28
2.3. Analysis. The compositions of the samples from the 410.24 0.0063 0.1201 2.1826 1.0020 23.55
vapor and liquid phases were analyzed by GC (Lunan SP6890) 404.34 0.0158 0.2597 2.1356 1.0041 53.68
with an FID detector and a column (SE-30, 50 m × 0.32 mm). 394.25 0.0351 0.4598 2.1334 1.0060 105.96
Hydrogen with the purity of 0.99999 was employed as a carrier 384.24 0.0605 0.6161 2.1028 1.0062 162.07
gas. And its flow rate was set to 20 mL·min−1. The injector and 381.76 0.0679 0.6482 2.0954 1.0082 183.69
detector temperatures were set at 473 K. The area correction 377.59 0.0812 0.6979 2.0944 1.0101 217.52
normalization method29 was applied to determine the 371.89 0.1035 0.7582 2.0690 1.0103 261.09
compositions of the samples. The analysis of each sample was 369.62 0.1137 0.7793 2.0560 1.0116 283.20
repeated at least three times. The equilibrium temperature was 367.55 0.1231 0.7972 2.0537 1.0128 304.67
determined using a mercury thermometer with an uncertainty of 356.56 0.1973 0.8778 1.9208 1.0132 412.88
0.1 K. The system pressure was measured by a manometer with 350.60 0.2525 0.9105 1.8579 1.0144 487.04
an uncertainty of 0.1 kPa. 346.45 0.3059 0.9299 1.7792 1.0189 545.11
339.47 0.4538 0.9589 1.5430 1.0311 602.72
3. RESULTS AND DISCUSSION 336.16 0.5827 0.9721 1.3612 1.0658 576.41
333.76 0.7439 0.9821 1.1678 1.2459 476.50
3.1. VLE Experimental Data. The isobaric VLE exper- 332.40 0.8579 0.9891 1.0684 1.4582 304.92
imental data for the binary systems (methyl acetate + isobutyl a
Standard uncertainties, u, of T, P, x, and y are u(T) = 0.1 K, u(P) =
acetate), (methyl acetate + isopentyl acetate), and (methyl 0.1 kPa, u(x) = 0.0023, and u(y) = 0.0024.
acetate + p-xylene) were measured at 101.3 kPa, which are
presented in Tables 2−4. Meanwhile, the T−x−y diagrams for Table 4. Experimental VLE Data for the Binary System of
the three binary mixtures are plotted in Figures 1-3. Methyl Acetate (1) + p-Xylene (2), Activity Coefficient (γ),
3.2. VLE Model. Because of the nonideality of liquid phase, and Gibbs Energy (GE) at 101.3 kPaa
the VLE expression could be simplified as
T/K x1 y1 γ1 γ2 GE/(J·mol−1)
Pyi = PiSxiγi (1) 331.64 0.8893 0.9874 1.0367 1.4777 207.52
334.66 0.7114 0.9731 1.1610 1.1630 416.74
Table 2. Experimental VLE Data for the Binary System of 337.69 0.5946 0.9617 1.2497 1.1219 503.01
Methyl Acetate (1) + Isobutyl Acetate (2), Activity 340.85 0.4881 0.9479 1.3575 1.0818 536.88
Coefficient (γ), and Gibbs Energy (GE) at 101.3 kPaa 345.22 0.3874 0.9275 1.4558 1.0624 523.96
349.55 0.3063 0.9023 1.5641 1.0496 495.72
T/K x1 y1 γ1 γ2 GE/(J·mol−1) 352.35 0.2657 0.8869 1.6316 1.0360 457.21
332.18 0.8332 0.9738 1.0914 1.2486 303.43 359.61 0.1844 0.8366 1.7938 1.0204 371.35
334.12 0.7499 0.9577 1.1158 1.2361 375.55 370.63 0.1098 0.7371 1.9601 1.0173 274.63
336.07 0.6751 0.942 1.1416 1.2007 415.76 376.11 0.0840 0.6758 2.0359 1.0138 226.12
339.09 0.5771 0.9188 1.1787 1.1383 421.88 383.13 0.0584 0.5852 2.1260 1.0057 157.29
344.29 0.4420 0.8741 1.2386 1.0826 397.45 387.99 0.0441 0.5109 2.1851 1.0040 123.40
348.18 0.3608 0.8358 1.2849 1.0568 364.03 395.62 0.0251 0.3748 2.2664 1.0019 73.63
349.62 0.3344 0.8202 1.3016 1.0508 352.20 400.97 0.0149 0.2634 2.3178 1.0010 44.97
356.30 0.2316 0.7368 1.3839 1.0358 302.94 407.97 0.0046 0.0956 2.3932 1.0003 14.47
360.40 0.1817 0.6761 1.4386 1.0308 272.30 a
Standard uncertainties, u, of T, P, x, and y are u(T) = 0.1 K, u(P) =
365.81 0.1283 0.5857 1.5179 1.0224 221.46 0.1 kPa, u(x) = 0.0023, and u(y) = 0.0024.
370.62 0.0905 0.4963 1.6016 1.0106 160.88
375.93 0.0571 0.3808 1.6955 1.0051 109.17
379.38 0.0393 0.2977 1.7643 1.0012 74.03 where P represents the total pressure, xi and yi denote the mole
384.36 0.0159 0.1591 1.7528 1.0004 29.92 fractions of component i in liquid and vapor phases; pSi is the
vapor pressure of the pure component at the system temperature
a
Standard uncertainties, u, of T, P, x, and y are u(T) = 0.1 K, u(P) = calculated by the extended Antoine equation.
0.1 kPa, u(x) = 0.0023, and u(y) = 0.0024. The extended Antoine expression is given as follows:
297 DOI: 10.1021/acs.jced.8b00807
J. Chem. Eng. Data 2019, 64, 296−302