In this work, we propose a new predictive entropy-scaling approach for Newtonian shear viscosities based on group contributions. The approach is based on Rosenfeld’s original work [Rosenfeld, Y. Phys. Rev. A 1977, 15, 2545−2549]. The entropy scaling is formulated as third order polynomial in terms of the residual entropy as calculated from a group-contribution perturbed-chain polar statistical associating fluid theory (PCP-SAFT) equation of state. In this study, we analyze the course of entropy scaling parameters within homologous series and suggest suitable mixing rules for the parameters of functional groups. The viscosity of nonpolar, of polar, and of self-associating (hydrogen bonding) components are considered. In total, 22 functional groups are parametrized to viscosity data of 110 pure substances, from 12 different chemical families. The mean absolute relative deviations (MADs) to experimental viscosity data are typically around 5%. For three chemical families, namely, branched alkanes, 1-alcohols,...

Group Contribution Method for Viscosities Based on Entropy Scaling Using the Perturbed-Chain Polar Statistical Associating Fluid Theory

Applicability of the Jouyban-Acree model for calculating absolute viscosity of binary liquid mixtures with respect to temperature and mixture composition is proposed. The correlation ability of the model is evaluated by employing viscosity data of 143 various aqueous and non-aqueous liquid mixtures at various temperatures collected from the literature. The results show that the model is able to correlate the data with an overall percentage deviation (PD) of 1.9+/-2.5%. In order to test the prediction capability of the model, three experimental viscosities from the highest and lowest temperatures along with the viscosities of neat liquids at all temperatures have been employed to train the model, then the viscosity values at other mixture compositions and temperatures were predicted and the overall PD obtained is 2.6+/-4.0%.

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Calculation of the viscosity of binary liquids at various temperatures using Jouyban-Acree model.

Densities of aqueous mixtures of (choline chloride+ethylene glycol) and (choline chloride+malonic acid) deep eutectic solvents in temperature range 283.15–363.15K

Viscosity, thermal and electrical conductivity of silicon dioxide–ethylene glycol transparent nanofluids: An experimental studies

Pervaporation separation of ethylene glycol/water mixtures through surface crosslinked PVA membranes: Coupling effect and separation performance analysis

Experimental densities, viscosities, and heat capacities at different temperatures were measured over the entire mole fraction range for the binary mixture of ethylene glycol + water. Density values were used in the determination of excess molar volumes, VE. The excess volumes, VE, are fitted as a function of the mole fraction to a polynomial. Δη was fitted to the Redlich−Kister equation. The excess volumes are negative over the entire composition at the lower temperatures. They show a U-shaped concentration dependence and decrease in absolute value with increasing temperature. At high temperatures, the excess molar volume shows an S-shaped dependence. Δη values are negative over the entire range of mole fraction and have a very similar trend to that for VE. The heat capacities of mixtures have the maximum values at x1= 0.0312.

Excess Molar Volumes, Viscosities, and Heat Capacities for the Mixtures of Ethylene Glycol + Water from 273.15 K to 353.15 K

Densities and viscosities for p-xylene with cyclohexane, heptane, octane, and N-methyl-2-pyrrolidone were determined from (298.15 to 353.15) K and at atmospheric pressure. The measurements were carried out over the whole range of composition, using a vibrating-tube density meter and a Ubbelohde viscometer. Density and viscosity measurements were used to compute the excess molar volumes, VE, and viscosity deviations, Δη. The excess molar volumes, VE, and viscosity deviations, Δη, have been fit to the Redlich−Kister equation, and the coefficients and estimates of the standard error values are given.

https://pubs.acs.org/doi/pdf/10.1021/je049566j

Thermodynamic Properties of Binary Mixtures of p-Xylene with Cyclohexane, Heptane, Octane, and N-Methyl-2-pyrrolidone at Several Temperatures

Densities and viscosities of the binary mixtures of diethyl carbonate (DEC) with 1-propanol, 1-butanol, and 1-pentanol have been determined at (293.15 to 363.15) K and at atmospheric pressure. Excess molar volumes and viscosity deviations for the binary mixtures were fitted to the Redlich−Kister equation. Dependences of excess molar volumes and viscosity deviations with carbon chain length were discussed. The UNIFAC-VISCO method, based on contribution groups, has been used to calculate the dynamic viscosities of the binary mixtures. The percentage deviations between experimental and predicted values are given.

Density and Viscosity of Binary Mixtures of Diethyl Carbonate with Alcohols at (293.15 to 363.15) K and Predictive Results by UNIFAC-VISCO Group Contribution Method

Experimental data on density and viscosity at 303.15 and 323.15 K are presented for the binary mixtures of sulfolane + benzene, toluene, ethylbenzene, p-xylene, o-xylene, and m-xylene. From these data, excess molar volumes and deviations in viscosity have been calculated. The computed quantities have been fitted to the Redlich−Kister equation to derive the coefficients and estimate the standard error values. The results are discussed in terms of the intermolecular interactions.

Excess Molar Volumes and Viscosities of Binary Mixtures of Sulfolane with Benzene, Toluene, Ethylbenzene, p-Xylene, o-Xylene, and m-Xylene at 303.15 and 323.15 K and Atmospheric Pressure

Experimental densities, viscosities, and heat capacities were measured over the entire mole fraction range for the binary mixture of 1,4-butanediol + water mixtures over a temperature range. From these data, excess molar volumes, deviations in viscosity, and excess molar heat capacities were computed. The VE, Δη, and were fitted to the Redlich−Kister equation using a multiparametric nonlinear regression analysis. Estimated coefficients and standard error values for the mixing quantities are presented. VE is negative for 1,4-butanediol + water mixtures at all temperatures and over the entire compositions. Δη vs x1 shows sinusoidal shape. The values of are positive in the whole range of mole fraction and increase with raising temperature at constant x1. The curve has large maximum values located in the x1 = 0.23.

Changsheng Yang

Papers

Excess Molar Volumes, Viscosities, and Heat Capacities for the Mixtures of Ethylene Glycol + Water from 273.15 K to 353.15 K

Thermodynamic Properties of Binary Mixtures of p-Xylene with Cyclohexane, Heptane, Octane, and N-Methyl-2-pyrrolidone at Several Temperatures

Density and Viscosity of Binary Mixtures of Diethyl Carbonate with Alcohols at (293.15 to 363.15) K and Predictive Results by UNIFAC-VISCO Group Contribution Method

Excess Molar Volumes and Viscosities of Binary Mixtures of Sulfolane with Benzene, Toluene, Ethylbenzene, p-Xylene, o-Xylene, and m-Xylene at 303.15 and 323.15 K and Atmospheric Pressure

Excess Molar Volume, Viscosity, and Heat Capacity for the Mixtures of 1,4-Butanediol + Water at Different Temperatures