Vapor−Liquid Equilibria of Binary Mixtures 2-Butanol + Butyl Acetate, Hexane + Butyl Acetate, and Cyclohexane + 2-Butanol at 101.3 kPa

Isobaric vapour-liquid equilibrium (VLE) data for the mixtures cyclohexane þ 2-butanol and cyclohexane þ 1,3-dioxolane þ 2-butanol have been obtained with a recirculating still at 40.0 and 101.3 kPa. We also have determined isobaric VLE data at 101.3 kPa for the system n-hexane þ 1,3-dioxolane þ 2-butanol. The experimental data for all the binary and ternary mixtures were checked for thermodynamic consistency using the method of Van Ness. Activity coefficients have been correlated with different equations (Wilson, Van Laar, Margules, NRTL and UNIQUAC) giving satisfactory results. Predictions with the group contribution methods ASOG and UNIFAC were obtained and compared with experimental data.

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“…1. We have found one reference for this system at 101.3 kPa [22] with a very similar results. In Fig.…”

Section: Vapour-liquid Equilibrium Of Mixturessupporting

confidence: 75%

“…cyclohexane þ 2-butanol at 101.3 kPa x 1az ¼ 0.800, at T az ¼ 351.9 K which is near the azeotropic point (x 1az ¼ 0.809 at T az ¼ 350.12 K) determined by Feng et al [22].…”

Section: Vapour-liquid Equilibrium Of Mixturesmentioning

confidence: 65%

Isobaric Vapour-Liquid Equilibrium of Ternary Mixtures Cyclohexane (or n -Hexane) Plus 1,3-Dioxolane Plus 2-Butanol at 40.0 and 101.3 kPa

Gascón

Artigas

Cea

et al. 2003

Physics and Chemistry of Liquids

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“…The symbols represent the experimental data for the vapor-liquid equilibria of n-hexane + ethyl acetate (circles), 163 n-hexane + n-propyl acetate (asterisks), 163 and n-hexane + n-butyl acetate (triangles). 171 The continuous curves are the predictions of SAFT-γ Mie and the dashed curves are the corresponding predictions with modified UNIFAC (Dortmund) 13 using parameters from Ref. 127.…”

Section: Binary Systemsmentioning

confidence: 99%

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Papaioannou

Lafitte

Avendaño

et al. 2014

The Journal of Chemical Physics

255

429

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A group contribution method for associating chain molecules based on the statistical associating fluid theory (SAFT-) The Journal of Chemical Physics 127, 234903 (2007) (2013)] is formulated within the framework of a group contribution approach (SAFT-γ Mie). Molecules are represented as comprising distinct functional (chemical) groups based on a fused heteronuclear molecular model, where the interactions between segments are described with the Mie (generalized Lennard-Jonesium) potential of variable attractive and repulsive range. A key feature of the new theory is the accurate description of the monomeric group-group interactions by application of a high-temperature perturbation expansion up to third order. The capabilities of the SAFT-γ Mie approach are exemplified by studying the thermodynamic properties of two chemical families, the n-alkanes and the n-alkyl esters, by developing parameters for the methyl, methylene, and carboxylate functional groups (CH 3 , CH 2 , and COO). The approach is shown to describe accurately the fluid-phase behavior of the compounds considered with absolute average deviations of 1.20% and 0.42% for the vapor pressure and saturated liquid density, respectively, which represents a clear improvement over other existing SAFT-based group contribution approaches. The use of Mie potentials to describe the group-group interaction is shown to allow accurate simultaneous descriptions of the fluid-phase behavior and second-order thermodynamic derivative properties of the pure fluids based on a single set of group parameters. Furthermore, the application of the perturbation expansion to third order for the description of the reference monomeric fluid improves the predictions of the theory for the fluid-phase behavior of pure components in the near-critical region. The predictive capabilities of the approach stem from its formulation within a group-contribution formalism: predictions of the fluid-phase behavior and thermodynamic derivative properties of compounds not included in the development of group parameters are demonstrated. The performance of the theory is also critically assessed with predictions of the fluid-phase behavior (vapor-liquid and liquid-liquid equilibria) and excess thermodynamic properties of a variety of binary mixtures, including polymer solutions, where very good agreement with the experimental data is seen, without the need for adjustable mixture parameters.

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“…whose parameters A i , B i , and C i are reported in Table 4 together with some literature values [6,8,9]. The deviations, P 0 i = P 0 i,exp tl − P 0 i,lit , calculated by means of the Antoine equation using the constant values from Table 4 have been graphically represented in Fig.…”

Section: Pure Component Vapour Pressuresmentioning

confidence: 99%

“…(a) 4-Methyl-2-pentanone: (---) Dortmund Data Bank[8]; (-·-·-) Daubert and Danner[6]. (b) 2-Butanol: (---) Dortmund Data Bank[8]; (-·-·-) Daubert and Danner[6]; (--) Feng et al[9].…”

unclassified

Isobaric vapour–liquid equilibria for the binary systems 4-methyl-2-pentanone+1-butanol and+2-butanol at 20 and 101.3kPa

Martínez

Lladosa

Burguet

et al. 2009

Fluid Phase Equilibria

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Vapor−Liquid Equilibria of Binary Mixtures 2-Butanol + Butyl Acetate, Hexane + Butyl Acetate, and Cyclohexane + 2-Butanol at 101.3 kPa

Cited by 29 publications

References 13 publications

Isobaric Vapour-Liquid Equilibrium of Ternary Mixtures Cyclohexane (or n -Hexane) Plus 1,3-Dioxolane Plus 2-Butanol at 40.0 and 101.3 kPa

Isobaric Vapour-Liquid Equilibrium of Ternary Mixtures Cyclohexane (or n -Hexane) Plus 1,3-Dioxolane Plus 2-Butanol at 40.0 and 101.3 kPa

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

Isobaric vapour–liquid equilibria for the binary systems 4-methyl-2-pentanone+1-butanol and+2-butanol at 20 and 101.3kPa

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