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Density and Viscosity for Binary Mixtures of the Ionic Liquid 1-Butyl-3-methylimidazolium Tetrafluoroborate with 2-Propanol, N,N-Dimethylacetamide and N,N-Dimethylformamide at 293.15–323.15 K: Experimental and PC-SAFT Modeling

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Abstract

For three binary mixtures composed of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with 2-propanol, N,N‑dimethylacetamide (DMA) and N,N‑dimethylformamide (DMF), the values of the experimental density and viscosity over the whole composition range for T = (293.15 to 323.15 K) are reported. Excess molar volume \(\mathop V\nolimits_{{\text{m}}}^{{\text{E}}}\), partial molar volume \(\overline{{V_{i} }}\), and the deviation in viscosity \(\Delta \eta\) are calculated and explained in order to clarify the intermolecular interactions among the species in the mixtures. For all of the binary mixtures, the negative values of \(\mathop V\nolimits_{{\text{m}}}^{{\text{E}}}\) and \(\Delta \eta\) were fitted with the Redlich–Kister polynomial function. An increase in temperature decreases the values of \(\mathop V\nolimits_{{\text{m}}}^{{\text{E}}}\) and increases the values of \(\Delta \eta\). The results have been discussed regarding binary interaction forces and the formation of a complex between dissimilar molecules. For the correlation and prediction of the binary system densities, perturbed chain statistical associating fluid theory (PC-SAFT) was used. The results obtained from this theory are consistent with the experimental data.

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Abbreviations

A k :

Adjustable coefficients, correlated by Eq. 2

a :

Helmholtz energy (J)

ai, bi :

Coefficients of power series of density I1, I2

C 1 :

Compressibility expression

d :

Temperature dependent segment diameter

\(g_{{ij}}^{{\text{hs}}}\) :

Radial pair distribution function

I1, I2 :

Power series of density

k :

Boltzmann constant

k ij :

Adjustable parameter

M :

Association sites per molecule

m i :

Number of segments per chain

\(\bar{m}\) :

Average segment number

N :

Number of experimental points

OF :

Objective function

P :

Pressure (Pa)

p :

Number of parameters Ak in Eq. 2

T :

Absolute temperature (K)

V m :

Molar volume

\(X_{\text{m}}^{\text{E}}\) :

Stands for \(V_{\text{m}}^{\text{E}} \;{\text{or}}\;\Delta \eta\)

X A :

Mole fraction of molecules not bonded at site A

x :

Mole fraction

∆AB :

Association strength between two sites A, B

\(\varepsilon /k\) :

Dispersion energy for each segment (J)

ε AB :

Energy of association between two sites A, B

\(\Gamma\) :

Reduced density

∆η :

Deviation in viscosity

η :

Viscosity

κ AB :

Volume of association

ρ :

Molar density

s :

Standard deviation

σ :

Segment diameter (Å)

Ω :

Density of binary mixtures

\(\zeta _{n}\) :

Parameters of Eq. 10, n = 0, 1, 2, 3

assoc:

Association

calc:

Calculated

disp:

Dispersion

exp:

Experimental

E :

Excess

hc:

Hard chain

hs:

Hard sphere

res:

Residual

sys:

System

i, j :

Pure components

ij :

Cross parameters for unlike pairs

l :

Ionic liquid

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Authors and Affiliations

  1. Department of Chemistry, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Bahman Sarkoohaki, Mehrnoosh Karimkhani & Sakineh Mansouri

  2. Department of Applied Chemistry, Faculty of Science, Malayer University, 65174, Malayer, Iran

    Mohammad Almasi

  3. Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran, Iran

    Azam Najafloo

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  1. Bahman Sarkoohaki
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10953_2020_967_MOESM1_ESM.doc

Excess molar volumes, viscosity deviations, coefficients of the Redlich-Kister equation and adjustable parameters of the PC-SAFT model along with the standard deviation values. Supplementary file1 (DOC 326 kb).

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Sarkoohaki, B., Karimkhani, M., Almasi, M. et al. Density and Viscosity for Binary Mixtures of the Ionic Liquid 1-Butyl-3-methylimidazolium Tetrafluoroborate with 2-Propanol, N,N-Dimethylacetamide and N,N-Dimethylformamide at 293.15–323.15 K: Experimental and PC-SAFT Modeling. J Solution Chem 49, 405–421 (2020). https://doi.org/10.1007/s10953-020-00967-3

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