The viscosity of ionic liquids (ILs)
has been modeled as a function
of temperature and at atmospheric pressure using a new method based
on the UNIFAC–VISCO method. This model extends the calculations
previously reported by our group (see Zhao et al. J. Chem.
Eng. Data
2016, 61, 2160–2169) which
used 154 experimental viscosity data points of 25 ionic liquids for
regression of a set of binary interaction parameters and ion Vogel–Fulcher–Tammann
(VFT) parameters. Discrepancies in the experimental data of the same
IL affect the quality of the correlation and thus the development
of the predictive method. In this work, mathematical gnostics was
used to analyze the experimental data from different sources and recommend
one set of reliable data for each IL. These recommended data (totally
819 data points) for 70 ILs were correlated using this model to obtain
an extended set of binary interaction parameters and ion VFT parameters,
with a regression accuracy of 1.4%. In addition, 966 experimental
viscosity data points for 11 binary mixtures of ILs were collected
from literature to establish this model. All the binary data consist
of 128 training data points used for the optimization of binary interaction
parameters and 838 test data points used for the comparison of the
pure evaluated values. The relative average absolute deviation (RAAD)
for training and test is 2.9% and 3.9%, respectively.
Density, rheological properties, and conductivity of a homologous series of ammonium-based ionic liquids N-alkyl-triethylammonium bis{(trifluoromethyl)sulfonyl}imide were studied at atmospheric pressure as a function of alkyl chain length on the cation, as well as of the temperature from (293.15 to 363.15) K. From these investigations, the effect of the cation structure was quantified on each studied properties, which demonstrated, as expected, a decrease of the density and conductivity, a contrario of an increase of the viscosity with the alkyl chain length on the ammonium cation. Furthermore, rheological properties were measured for both pure and water-saturated ionic liquids. The studied ionic liquids were found to be Newtonian and non-Arrhenius. Additionally, the effect of water content in the studied ionic liquids on their viscosity was investigated by adding water until they were saturated at 293.15 K. By comparing the viscosity of pure ionic liquids with the data measured in water-saturated samples, it appears that the presence of water decreases dramatically the viscosity of ionic liquids by up to three times. An analysis of involved transport properties leads us to a classification of the studied ionic liquids in terms of their ionicity using the Walden plot, from which it is evident that they can be classified as "good" ionic liquids. Finally, from measured density data, different volumetric properties, that is, molar volumes and thermal expansion coefficients were determined as a function of temperature and of cationic structure. Based on these volumetric properties, an extension of Jacquemin's group contribution model has been then established and tested for alkylammonium-based ionic liquids within a relatively good uncertainty close to 0.1 %.
Liquid−liquid equilibrium and excess enthalpies were studied for the two binary systems: methylcyclohexane + methanol and methylcyclohexane + N,N-dimethylformamide. Points of the binodal curve in
the vicinity of the critical point were established in both of the systems by means of the cloud-point
method. Equilibrium compositions were determined at different temperatures using the direct analytical
method and the volume method. Excess enthalpies as functions of composition were determined at 298.15
K and 313.15 K using a Hart 4410 microcalorimeter with continuous-flow mixing cells. The results were
correlated by the modified Wilson equation. A prediction of the liquid−liquid equilibrium and the excess
enthalpy by the modified UNIFAC contribution method (Dortmund) was compared to the experimental
values.
Ionanofluids (INFs), ionic liquids (ILs) containing dispersed nanoparticles, show fascinating thermophysical properties. The amount of dispersed nanoparticles influences the properties of the base IL, allowing for a fine-tuning of the properties of the resulting INF. Even though INFs have been studied for more than a decade now, sufficient and reliable data are still lacking. The aim of this work is to report on the heat capacity, viscosity, melting temperature, and electrical conductivity of INFs based on 1-ethyl-3-methylimidazolium bis-(trifluoromethylsulfonyl)imide as a function of multi-wall carbon nanotube compositions. In this work, mathematical gnostics has been also used to estimate the uncertainty in each measured property. Moreover, a robust linear regression along a gnostic influence function was used to find the best curve fit for the measured data.
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