ABSTRACT

Densities, viscosities and refractive indices of four binary systems consisting of pyridine with mono-, di-, and three- hydroxyl alcohols (1-propanol, 1,2-propanediol, 1,3-propanediol, and glycerol) were measured at eight temperatures (288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15, and 323.15) K and atmospheric pressure. From these data, excess molar volumes, viscosity deviations and deviations in refractive indices were calculated and fitted to the Redlich-Kister equation. The obtained results have been analyzed in terms of specific molecular interactions and mixing behavior between mixture components, taking into considerations effect of number and position of OH groups in polyols, as well as the influence of temperature on them. The modeling of excess molar volume binary data was performed with the Peng-Robinson-Stryjek Vera cubic equation of state (PRSV CEOS) coupled with the van der Waals (vdW1) and CEOS/GE mixing rule introduced by Twu, Coon, Bluck, and Tilton (TCBT). The refractive indices of binary mixtures were predicted by various mixing rules and compared with experimental data. The viscosity modeling was done by two types of models: predictive UNIFAC-VISCO and correlative Teja-Rice and McAlister equations. In addition, due to the high importance of the prediction models, the experimental values of viscosity were used to determine the interaction parameters of following groups C6H5N CH3, C6H5N CH2, C6H5N OH, C6H5N CH, CH CH3, CH CH2, and CH OH for their application in the UNIFAC-VISCO model.

Compounds

#	Formula	Name
1	C5H5N	pyridine
2	C3H8O	propan-1-ol
3	C3H8O2	1,2-propanediol
4	C3H8O2	propan-1,3-diol
5	C3H8O3	glycerol

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	8
POMD	1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	2	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	8
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	8
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	8
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	8
POMD	5	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	8
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	8
POMD	2 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	88
POMD	2 1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	88
POMD	2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	88
POMD	3 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	88
POMD	3 1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	88
POMD	3 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	88
POMD	1 4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	88
POMD	1 4	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	88
POMD	1 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	88
POMD	5 1	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Concentric cylinders viscometry	88
POMD	5 1	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Standard Abbe refractometry	88
POMD	5 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	88

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental determination and modeling of excess molar volumes, viscosities and refractive indices of the binary systems (pyridine + 1-propanol, + 1,2-propanediol, + 1,3-propanediol, and + glycerol). New UNIFAC-VISCO parameters determination

Kijevcanin, M. L.[Mirjana Lj.], Zivkovic, E. M.[Emila M.], Djordjevic, B. D.[Bojan D.], Radovic, I. R.[Ivona R.], Jovanovic, J., Serbanovic, S.[Slobodan]

ABSTRACT