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Liquid–Liquid Equilibrium and Thermodynamic Modeling of Aqueous Two-Phase System Containing Polypropylene Glycol and NaClO4 at T = (288.15 and 298.15) K

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Abstract

In this work the phase equilibrium of an aqueous two phase system (ATPS) containing polypropylene glycol (PPG, molecular weight = 425 kg·mol−1) and NaClO4 was investigated at atmospheric pressure and at 288.15 and 298.15 K. Two phase regions and composition of phases were determined. Our results show that as the temperature increases, the two-phase region expands. Also, the extended UNIQUAC (E-UNIQUAC) equation was used to correlate the equilibrium data. To reduce the number of adjustable parameters, ATPSs composed of PEG and PPG were collected from the literature and simultaneously correlated using the E-UNIQUAC model. Also, the effect of temperature on the liquid–liquid equilibrium (LLE) was considered by using temperature-dependent parameters. In the modeling, two different scenarios were supposed. In the first, polymer and salt were treated as solutes (Case A), while in the second, the pseudo-solvent approach was considered (Case B). The results showed good agreement with experimental data in both cases. The average absolute deviation of the model using Case B was about 0.2% and that for Case A was about 2% in the ATPS composed of PEG. Meanwhile, the reported errors in the ATPS containing PPG for Case A and Case B were almost equal.

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Abbreviations

G ex :

Excess Gibbs energy

\( n_{\text{D}}^{\text{o}} \) :

Refractive index of water

A :

Debye–Hückel constant

U ij :

Interaction parameters

b :

Debye–Hückel constant

d :

Density (kg·m−3)

D :

Mixed-solvent dielectric constant

I :

Ionic strength on the molal scale

m :

Molality

M :

Molecular weight (kg·mol−1)

n D :

Refractive index

OF:

Objective function

q :

Surface parameter

r :

Volume parameter

T :

Temperature (K)

V :

Molar volume

w :

Weight percent

x :

Mole fraction

Z :

Charge number or coordination number (= 10)

γ:

Activity coefficient

θ :

Surface area fraction

φ and ϕ :

Volume fraction

I:

Bottom phase

II:

Top phase

S :

Number of tie lines

N :

Number of components

cal:

Calculated value

exp:

Experimental value

UQ:

UNIQUAC equation

DH:

Debye–Hückel equation

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  1. Thermodynamics Research Laboratory, School of Chemical Engineering, Iran University of Science and Technology, Narmak, Tehran, 16846–13114, Iran

    Afshin Hamta, Asma Mohammadi, Mohammad Reza Dehghani & Farzaneh Feyzi

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  1. Afshin Hamta
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Hamta, A., Mohammadi, A., Dehghani, M.R. et al. Liquid–Liquid Equilibrium and Thermodynamic Modeling of Aqueous Two-Phase System Containing Polypropylene Glycol and NaClO4 at T = (288.15 and 298.15) K. J Solution Chem 47, 1–25 (2018). https://doi.org/10.1007/s10953-017-0704-x

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