“…The rupture of hydrogen bonds of butanol isomers and the breaking of dipole-dipole interactions of 1-chlorobutane predominate over the formation of new interactions between molecules of butanol and chlorobutane. Our results are also in good concordance with previously reported VLE data for the constituent binary mixtures at T = 298.15 K [19,23,24,26]. The biggest G E values correspond to mixtures with small mole fractions of chlorobutane, revealing that n-hexane is very efficient breaking the hydrogen bonds of the pure butanols, while butanol-chlorobutane interactions partially compensate the rupture of the selfinteractions.…”
Section: Resultssupporting
confidence: 92%
“…To our knowledge, there is not any isothermal VLE study on the ternary systems presented here, although there are some previous reports on the constituent binary systems at different temperatures: 1-butanol + n-hexane [14][15][16][17][18][19], 2-butanol + n-hexane [19][20][21][22], 1-butanol or 2-butanol + 1-chlorobutane [23,24], and n-hexane + 1-chlorobutane [25,26].…”
“…The rupture of hydrogen bonds of butanol isomers and the breaking of dipole-dipole interactions of 1-chlorobutane predominate over the formation of new interactions between molecules of butanol and chlorobutane. Our results are also in good concordance with previously reported VLE data for the constituent binary mixtures at T = 298.15 K [19,23,24,26]. The biggest G E values correspond to mixtures with small mole fractions of chlorobutane, revealing that n-hexane is very efficient breaking the hydrogen bonds of the pure butanols, while butanol-chlorobutane interactions partially compensate the rupture of the selfinteractions.…”
Section: Resultssupporting
confidence: 92%
“…To our knowledge, there is not any isothermal VLE study on the ternary systems presented here, although there are some previous reports on the constituent binary systems at different temperatures: 1-butanol + n-hexane [14][15][16][17][18][19], 2-butanol + n-hexane [19][20][21][22], 1-butanol or 2-butanol + 1-chlorobutane [23,24], and n-hexane + 1-chlorobutane [25,26].…”
“…Solid black symbols represent the liquid phase, and open symbols represent the vapor phase. Literature data: ( P – x )orange triangle, (Prasad et al at 342.45 K); ( P – x – y )( x 1 orange ×, y 1 orange +), (Berro et al at 332.53 K); ( P – x – y ) ( x 1 orange circle, y 1 ornage open circle (calculated)), (Rodriguez et al at 289.15 K); orange square, ( P – x )(Lecat at 341.42 K).…”
Isothermal vapor–liquid equilibrium measurements (pressure– temperature–liquid and vapor composition) were conducted for water (1) + propan-1-ol (2), n-hexane (1) + butan-2-ol (2), and n-hexane
(1) + 2-methyl-propan-1-ol (2) at three temperatures, each using a
dynamic moderate pressure equilibrium still. Additionally, pressure–temperature-overall composition measurements for the first two systems were conducted
for the intermediate temperatures using a newly automated static-synthetic
apparatus to confirm the operability of the automation scheme and
to compare the model predictions of the vapor-phase compositions from
the processed pressure–temperature–liquid composition
data by the static-synthetic method with the experimental vapor compositions
measured by the dynamic method. The automation scheme was developed
and implemented on the original static total pressure vapor–liquid
equilibrium apparatus of Raal et al. (Fluid Phase Equilib.
2011, 310, 156–165) using the
LabVIEW graphical programming language. In comparison to the manual
operating mode, this scheme improved the efficiency of operation by
reducing the man-hours involved and minimized the associated uncertainty
with the measurement procedure with respect to liquid composition.
Once executed, the control scheme requires approximately 2 days to
produce a single 40-data point (pressure–temperature–liquid
composition) isotherm and minimizes human intervention to 2–3
h in comparison to a 2-week long measurement procedure in the nonautomated
operating mode and in excess of 3 weeks using the dynamic method with
analysis by gas chromatography. All experimental data were modeled
using the γ–Φ approach with the NRTL and UNIQUAC
activity coefficient models and the virial equation of state with
the Hayden and O’Connell correlation. For the pressure–temperature–liquid
and vapor composition data measured, thermodynamic consistency testing
was performed. The data sets passed the point test with 0.01 tolerance
and the area test with 10% tolerance. Experimental vapor-phase compositions
obtained by phase sampling in the dynamic method compared reasonably
well with the predictions from the pressure–temperature–liquid
composition data measured by the automated static-synthetic method.
“…or empirical correlations were chosen carefully by thorough studies of literature (Ambrose and Ghiasse, 1987;ASME Steam Tables, 1993;Daubert and Danner, 1992;Garriza et al, 2002;Hansch and Leo, 1979;Harvey and Lemon, 2004;Reid et al 1987;Rodriguez et al 1993;Tsonopoulos, 1974). p of hexane and butanol were calculated from the temperature dependent correlation by Daubert and Danner (1992), and of water from the ASME Tables (1993) …”
This is an extended research of the paper conducted to obtain a universal set of interaction parameters of the model NRTL over the temperature range 10 -100 °C for hexanebutanol-water system; meaning for binary pairs hexane-butanol, butanol-water and hexane-water; and for ternary system hexane-butanol-water. Thorough investigations of data selections for all binary pairs (Vapor-Liquid Equilibrium (VLE), Liquid-Liquid Equilibrium (LLE)), infinite dilution activity coefficient (γ ∞ ), infinite dilution distribution coefficient (D sw ), excess enthalpy (H E ), and for ternary system (LLE of hexane-butanol-water) were carried out. Finally quadratic temperature dependent interaction parameters were estimated regressing all the mentioned data and in each case calculated results were compared with literature values. The comparisons showed an overall percentage of error within 15% for the mentioned phase equilibrium calculations.
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