Experimental and predicted properties of the binary mixtures containing an isomeric chlorobutane and butyl ethyl ether

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Abstract

Densities of the binary systems containing an isomer of chlorobutane (1-chlorobutane, 2-chlorobutane, 2-methyl-1-chloropropane, or 2-methyl-2-chloropropane) and butyl ethyl ether have been measured over the temperature range (283.15 to 313.15) K. Moreover, isothermal (vapour + liquid) equilibria have also been determined at three temperatures (T = (288.15, 298.15, and 308.15) K). Excess properties have been obtained from the experimental data and correlated. Finally, the VTPR model has been used to predict densities and (vapour + liquid) equilibria of the binary systems studied.

Highlights

► Volumetric properties of a chlorobutane + buty ethyl ether have been studied. ► Isothermal VLE of a chlorobutane + buty ethyl ether has been determined. ► Excess volumes and excess Gibbs energies have been obtained from experimental data. ► The VTPR model has been satisfactorily used to predict densities and VLE data.

Introduction

In many chemical engineering areas such as process design and purification techniques, a reliable estimation of thermodynamic properties as a function of composition, temperature and pressure is particularly important. In the last years our research group has made a considerable effort on the measurement of thermodynamic properties of liquid mixtures containing ethers and halogenated compounds [1], [2], [3], [4]. In this contribution, we report densities over the temperature range (283.15 to 313.15) K and isothermal (vapour + liquid) equilibrium data at T = (288.15, 298.15 and 303.15) K for the four binary mixtures formed by an isomeric chlorobutane and butyl ethyl ether. From these experimental properties, excess volumes and excess Gibbs energies have been obtained at different temperatures.

In addition, the reliability of the predictions of the densities and (vapour + liquid) equilibria of the volume translated Peng–Robinson group contribution equation of state (VTPR model) [5], [6], [7] was checked by comparing the experimental information with the model predictions. This model that combines the UNIFAC model [8], [9] with the volume translated Peng–Robinson equation of state [10], [11], is a useful way for predicting the thermodynamic properties of complex mixtures. It has been successfully applied to predict a variety of properties of nonpolar, polar, sub-critical, supercritical, symmetric and highly asymmetric, electrolyte and polymer systems [4], [6], [12], [13], [14], [15].

There are few studies involving (vapour + liquid) equilibria for butyl ethyl ether with chloroalkanes [16], [17], but as far as we know there are no references for isothermal VLE studies on the systems presented here.

Section snippets

Experimental

The information about the liquids used is summarized in table 1.

Densities, ρ, of the pure compounds and their mixtures were determined with an Anton Paar DMA-5000 vibrating tube densimeter automatically thermostatted within ±0.001 K. The calibration of the apparatus was made with dry air and deionized double distilled water. The uncertainty of the density measurements is ±1 · 10−6 g · cm−3

The mixtures were prepared by mass using a Sartorious CP225D semi-micro balance with an uncertainty of ±10−5 g.

Results and discussion

Experimental densities, ρ, together with calculated excess volumes, VE, of the binary mixtures can be found in the supplementary material. Excess volumes have been plotted against composition of the mixtures at different temperatures in FIGURE 1, FIGURE 2, FIGURE 3, FIGURE 4. Moreover, excess volumes have been correlated using a Redlich–Kister polynomial equation:VE=x1x2i=0nAi(x1-x2)i,where Ai are adjustable parameters, obtained by the least-square method, the number of the adjustable

VTPR model predictions

We have used the volume translated Peng–Robinson group contribution equation of state (VTPR model) to predict simultaneously the densities and (vapour + liquid) equilibria of the mixtures studied here. This model combines the VTPR-EoS with the UNIFAC group contribution method.

The VTPR equation of state is:p=RT(V+c-b)-a(T)(V+c)(V+c+b)+b(V+c-b),where the translation parameter, c, is defined as the difference between the volume calculated with the Peng–Robinson-EoS and the experimental volume at a

Conclusions

Densities within the temperature range (283.15 to 313.15) K and (vapour + liquid) equilibria at three temperatures (T = (288.15, 298.15, and 308.15) K) are reported for the binary mixtures containing an isomeric chlorobutane (1-chlorobutane, 2-chlorobutane, 2-methyl-1-chloropropane, or 2-methyl-2-chloropropane) and butyl ethyl ether. The small absolute values obtained for both excess volumes and excess Gibbs energies indicate a quasi-ideal thermodynamic behaviour of these systems. The experimental

Acknowledgements

We are grateful for financial assistance from Diputación General de Aragón (Platon Group, E-54) and Universidad de Zaragoza.

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