Phase Equilibrium and Physical Properties for the Purification of Propylene Carbonate (PC) and γ-Butyrolactone (GBL)

Abstract

The separation of propylene carbonate (PC) and γ-butyrolactone (GBL) from their primary impurities, which include water, propylene glycol (PG), and diethyl succinate (DES) and lower the potential of PC as a solvent in lithium batteries, was investigated. Consequently, the isobaric vapor−liquid equilibria (VLEs) for the PG + PC, GBL + DES, and water + GBL binary systems, as well as the solid−liquid equilibria (SLEs) for the GBL + DES and water + GBL binary systems, were characterized. The Wilson, nonrandom two-liquid (NRTL), and universal quasi-chemical (UNIQUAC) equations are used to describe the aforementioned VLEs and SLEs. Furthermore, we report the vapor pressures of PG, GBL, DES, and PC with a dynamic glass still from T = (376.99 to 485.91) K, as well as excess molar volume mixture properties (V E), deviations in the molar refraction (ΔR), and deviations in viscosity (Δη) at 298.15 K for the same compositions.

Volumetric and viscometric study with FT-IR analysis of binary systems with diethyl succinate and alcohols

“…Experimental data on density, viscosity and refractive index of these chemicals were compared with literature values [5,6,[11][12][13][14] at 298.15 K ( Table 2). The agreement was satisfactory with differences within 0.8 kg m À3 for densities, less than 5 Á 10 À4 for refractive indices and ranging from 3 Á 10 À3 mPa s for less viscous fluids to 9 Á 10 À2 mPa s for fluids with higher viscosities.…”

“…Binary mixtures of wine congeners have been analyzed before [3,4], and also several studies of the thermophysical properties of this ester [5,6] have been conducted in the recent years. However, detailed investigations of the properties such as density, viscosity and refractive index over a wide range of temperature of these mixtures are still missing in the literature.…”

Low pressure carbon dioxide solubility in pure electrolyte solvents for lithium-ion batteries as a function of temperature. Measurement and prediction

“…During this work, the same methodology as already presented by Ab Manan et al [39] was used to optimise each structure and to calculate the CO 2 solubility in selected solvents, as well as in solvents containing additive salts like LiPF 6 or [C 2 mim][NTf 2 ] ionic liquid where each reported binary composition describes the liquid phase used in the COSMOthermX software. As the calculation of the gas solubility by using COSMOThermX software (version 2.1, release 01.06) requires the prior knowledge of pure compound vapour pressures of pure components, these data were taken from the literature for the CO 2 [40] and also for each studied solvent [41][42][43][44][45][46]. Vapour pressures were also estimated by generating 'energy values' by using Turbomole program [47], as already described into the literature [39,48].…”

“…The second method is to employ experimental data for pure components [40][41][42][43][44][45][46], or the constants for standard correlations derived from such data, denoted as the 'vapour value'. Here experimental p vap o ðiÞ values of the solvents studied were recalculated using an unique semi-empirical correlation, such as the following Antoine equation:…”

“…where A, B and C are empirical parameters reported in table 6, calculated from vapour pressure (p vap 0 =kPa) experimental data as a function of the temperature (T /K) from the literature [41][42][43][44][45][46].…”