Modeling of Volumetric Properties of Organic Mixtures Based on Molecular Interactions

Viscosities and refractive indices of binary systems acetone+1-propanol, acetone+1,2-propanediol and acetone+1,3-propanediol

“…It has already been pointed out in our previous work [1] that for the mixture of acetone with 1-propanol excess molar volumes are mostly negative, although very small by absolute value (Figure 3a (Figures 3b and 3c) thus indicating interaction by hydrogen bonding between C=O group of acetone and OH groups of diols. The minimum of the curve for the mixture with 1,2-propanediol is located near 0.7 acetone mole fraction while the curve with for the mixture is almost symmetrical.…”

“…The minimum of the curve for the mixture with 1,2-propanediol is located near 0.7 acetone mole fraction while the curve with for the mixture is almost symmetrical. This phenomenon could be attributed to structural factors and the presence of vicinal hydroxyl group in the molecule of 1,2-propanediol [1]. According to [22] predominance of chemical interactions leading to H-bond formation is expected to result in positive viscosity deviation.…”

“…It has been stated earlier [1,22,27] that excess thermodynamic properties of mixtures are the consequence of three main types of contributions: a) physical interaction, such as dispersion forces or week dipole-dipole interactions, resulting in negative contributions to excess molar volume and viscosity deviation, b) chemical interaction like hydrogen bonds or other complex formation leading to negative contributions to V E and positive to Δη and c) structural interactions due to interstitial accommodation and changes in free volume.…”

Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion

“…The outcome of the interplay between these interactions is strongly linked to the deviation from the ideal behaviour of such mixtures and, thus, to the related excess thermodynamic properties or deviation functions. The latter can be explained and interpreted on the bases of the existing interactions [83][84][85][86]. Considering partially negatively charged nitrogen and partially positive charged hydrogen atoms from the amine group, it is evident that aniline can be both hydrogen bond donor (HBD) and hydrogen bond acceptor (HBA) (see hydrogen bond acidity α (HBD ability) and hydrogen bond basicity β (HBA ability) parameters of aniline given in Table5).…”

Prediction of excess molar volumes of selected binary mixtures from refractive index data

“…The predictions of V E from n D data in the temperature range 288.15-323.15 K (or 288.15-333.15 K) and at atmospheric pressure for 22 binary systems (the experimental data were taken from the literature [38][39][40][41][42] and from ongoing investigations) were realised using the three chosen Models I-III with incorporated L-L, D-G, Eyk, A-B, New and Ost mixing rules for the determination the refractive index. The results of V E calculation were assessed by the absolute maximum percentage average deviation PD max : For easier analysis, the investigated systems are classified in six groups of binary mixtures: acetone + alcohols, butyl lactate + alcohols, N-methyl-2-pyrrolidone + alcohols, PEGs + alcohols, pyridine + alcohols and PEGs + aromatics.…”