Solid-Liquid Equilibria for Hexafluorophosphate-Based Ionic Liquid Quaternary Mixtures and Their Corresponding Subsystems
authors Mirarabrazi, M; Martins, MAR; Pinho, SP; Coutinho, JAP; Robelin, C
nationality International
journal JOURNAL OF PHYSICAL CHEMISTRY B
keywords QUASI-CHEMICAL MODEL; THERMODYNAMIC EVALUATION; THERMAL-PROPERTIES; MELTING BEHAVIOR; BINARY-MIXTURES; PHASE-DIAGRAMS; OPTIMIZATION; SYSTEM; DATABASES; SOFTWARE
abstract The present work describes an experimental study and the thermodynamic modeling for the solid-liquid phase diagram of an ionic liquid quaternary system constituted by hexafluorophosphate ([PF6](-)) as the common anion and by 1-methyl-3-propylimidazolium ([C(3)mim](+)), 1-methyl-1-propylpyrrolidinium ([C(3)mpyrr](+)), 1-methyl-3-propylpyridinium ([C(3)mpy](+)), or 1-methyl-1-propylpiperidinium ([C(3)mpip](+)) as the cations. The Modified Quasichemical Model was used to model the liquid solution, and the Compound Energy Formalism was used for the relevant solid solutions. The liquidus projections of the four ternary subsystems (1) [C(3)mim][PF6]-[C(3)mpip][PF6]-[C(3)mpyrr]-[PF6], (2) [C(3)mpy][PF6]-[C(3)mpip][PF6]-[C(3)mpyrr][PF6], (3) [C(3)mpip][PF6]-[C(3)mpy][PF6]-[C(3)mim][PF6], and (4) [C(3)mpyrr][PF6]-[C(3)mpy][PF6]-[C(3)mim][PF6] were predicted using a standard symmetric (for systems 3 and 4) or asymmetric (for systems 1 and 2) interpolation method. In order to test the accuracy of the thermodynamic model, two isoplethal sections were experimentally measured in each of the four ternary systems using differential scanning calorimetry. Overall, agreement was very satisfactory, not requiring fitting of any ternary interaction parameters for the liquid solution model. In each of the four calculated ternary liquidus projections, the region of composition corresponding to room temperature ionic liquid mixtures was determined. The global minimum of the liquidus temperature in the complete composition space was calculated to be about -16 degrees C, with a mole percentage composition of (33.8% [C(3)mpyrr][PF6] + 33.9% [C(3)mpy][PF6] + 32.3% [C(3)mim][PF6]).
publisher AMER CHEMICAL SOC
issn 1520-6106
isbn 1520-5207
year published 2019
volume 123
issue 42
beginning page 8954
ending page 8969
digital object identifier (doi) 10.1021/acs.jpcb.9b07545
web of science category Chemistry, Physical
subject category Chemistry
unique article identifier WOS:000492803000011
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journal analysis (jcr 2019):
journal impact factor 2.857
5 year journal impact factor 2.88
category normalized journal impact factor percentile 50.629
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