Elsevier

Fluid Phase Equilibria

Volume 340, 25 February 2013, Pages 37-41
Fluid Phase Equilibria

Measurement and correlation of liquid–liquid equilibrium data for 2-methyl-1-propanol + 2-propanol + water at several temperatures

https://doi.org/10.1016/j.fluid.2012.11.040Get rights and content

Abstract

Liquid–liquid equilibrium (LLE) tie-line data for 2-methyl-1-propanol + 2-propanol + water were determined experimentally under atmospheric pressure over the temperature range of (298.15–348.15) K, respectively. A type 1 LLE phase diagram for the ternary system studied was got and the influence of temperature on the phase diagrams was reported, too. The Othmer–Tobias and Bachman correlations were applied to check the accuracy of the LLE data reported. Moreover, the experimental data got were regressed with the NRTL (α = 0.2) and UNIQUAC activity coefficient models, meanwhile, the binary interaction parameters between each pair of components in the studied system were obtained. The root-mean-square deviation (RMSD) between the measured and calculated data was less than 0.0032. The results can be used to design and optimize the separation process of aqueous solution containing 2-propanol and 2-methyl-1-propanol.

Highlights

LLE tie-line data for 2-methyl-1-propanol + 2-propanol + water have been measured. ► The effect of temperature on phase diagrams for the studied system is detected. ► The NRTL and UNIQUAC models are used to correlate the experimental data given. ► The NRTL and UNIQUAC interaction parameters were obtained. ► A good agreement has been observed between the calculated and experimental data.

Introduction

Up till now, organic alcohols that are proved as an environment-friendly fuel have gradually become a kind of substitute for fossil fuel aiming at solving the energy crisis and environmental contamination. The organic alcohol which is the only renewable carbon sources can be recovered from diluted solution produced in biomass fermentation process [1]. Extraction can be used to complete the recycle of mixed alcohol from the aqueous–organic mixtures. The successful implementation of the above processes is dependent on the accurate liquid–liquid equilibrium (LLE) data which are fundamental and important to simulate and design the extraction process [2]. As a result, the researches of liquid–liquid phase equilibrium are becoming a hot topic and have aroused many researchers’ enthusiasm.

Nowadays, LLE has been discussed in detail by a lot of well-known experts and a large number of useful data that are of significant importance in some chemical processes are collected. Among the works, the methods of retrieval, correlation and prediction for LLE data having great help to the studies of LLE have been summarized and reported by Sørensen et al. in literatures [3], [4], [5]. Góral et al. [6] accumulated and reviewed the LLE data for the binary systems containing alkanol and water which would provide an important theoretical and methodological basis for the design of the separation of the related binary system. Moreover, in order to expand the use of biomass fermentation fuel and reduce fossil fuel consumption, the investigations of LLE for the aqueous solution containing low carbon alcohol have been carried out in recent years and some valuable scientific achievements have been made, too [7], [8], [9], [10], [11], [12], [13], [14]. For example, Tegtmeier and Misselhorn [15] gave the solubility curve for the ternary system containing of 2-propanol, ethanol and water at 303.15 K. For the above system, three tie-lines at 298.15 K were determined by Aznar et al. [16] and eight tie-line data at 293.15 K were supplied by Kadir et al. [17]. In addition, Bonner [18] reported tie-lines of the system consisting of 2-methyl-1-propanol, ethanol and water at 273.15 K. The above LLE data can be used to extract alcohols (C2–C5 alcohols) from biomass fermentation solution, especially from fusel oil. However, LLE data for some ternary mixtures composed of water and alcohols could not be found in the present literature. In our previous work, LLE data for the ternary system of 1-butanol + 3-methyl-1-butanol + water at different temperatures [19] and LLE data for the system containing 2-methyl-1-propanol, 3-methyl-1-butanol and water at T = (298.15, 323.15 and 348.15) K [20] had been reported. In this work, LLE for the ternary system 2-methyl-1-propanol + 2-propanol + water will be studied.

Liquid–liquid phase equilibrium was determined in detail for the ternary system consisting of 2-methyl-1-propanol, 2-propanol and water at T = (298.15, 323.15 and 348.15) K, respectively. There is only a pair of partially miscible binary compounds in the above system, that is, 2-methyl-1-propanol and water. As a result, the equilibrium phase diagram of this ternary system is divided into Treybal's type 1 phase diagram [21]. The mutual solubility of 2-methyl-1-propanol and water vary with temperature, and it is expected that the corresponding miscibility region will be affected as well. LLE data for the above ternary system were studied at several temperatures, which is aimed at observing the effect of temperature on the ternary system and getting useful tie-line data.

The accuracy of simulation calculation is closely related to the value of model parameters. Both the simulation calculation and the prediction of LLE data can be affected by the selection of parameter values. The model parameter was obtained by regression with experimental data. The non-random two liquid (NRTL) [22] and universal quasi-chemical (UNIQUAC) [23] models describing the Gibbs energy of mixing are functions of the composition and temperature. Therefore, in order to ensure the accuracy of the simulation, the UNIQUAC and NRTL models were chosen and the model parameters of corresponding system were determined by Aspen Plus physical parameter regression system using the LLE experimental data in this paper.

Section snippets

Materials and instruments

The study was carried out using analytical grade chemicals without further purification. The purity of these materials was checked by gas chromatography. The suppliers and mass fraction of the chemical reagent were listed in Table 1. The homemade double deionized water with specific conductance of 1.0 × 10−4 S m−1 was used in all of the experiments. A DDSJ-308A conductivity meter produced by Shanghai Precision and Scientific Instrument Co. Ltd. was used to measure the specific conductance of the

LLE experimental data

The LLE tie-line data for the ternary system containing 2-methyl-1-propanol, 2-propanol and water were reported at T = (298.15, 323.15 and 348.15) K, respectively. The data at each temperature given in Table 4 were shown as mole fraction. The same results got were plotted into a triangle phase diagram separately which was shown in Fig. 1, Fig. 2, Fig. 3. A type 1 LLE phase diagrams can be seen for the studied system. It is shown that the area of the immiscible area decreased slightly when the

Conclusions

Tie-line data for the ternary system composed of 2-methyl-1-propanol, 2-propanol and water were measured at T = (298.15, 323.15 and 348.15) K under atmospheric pressure, respectively. A type 1 LLE phase diagram for the ternary system studied was got and the temperature had a slight effect on immiscible zone. The obtained experimental data were correlated by the NRTL (α = 0.2) and UNIQUAC models and both models gave relatively good results for the system. In addition, successful prediction using the

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