Density and refractive index have been experimentally determined for binary liquid mixtures of hexadecane and heptadecane with 1-butanol, 1-pentanol, 1-hexanol and 1-heptanol at 298.15, 308.15 and 318.15 K. A comparative study of Lorentz—Lorenz (L-L), Weiner (W) and Heller (H), and Gladstone-Dale (G-D) relations for predicting the refractive index of a liquid has been carried out to test their validity for the eight binaries over the entire mole fraction range of hexadecane and heptadecane at the three temperatures. Comparison of various mixing rules has been expressed in terms of average percentage deviation. The performance of the Lorentz-Lorenz and Heller relations is relatively better than that of the Weiner and Gladstone-Dale relations.

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Application of refractive index mixing rules in binary systems of hexadecane and heptadecane withn-alkanols at different temperatures

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

This paper presents densities and viscosities for n-butanol, 2-butanol, isobutanol, tert-butanol, and for binary mixtures with n-butanol as a common component at temperatures between (303.15 and 343.15) K over the entire composition range. The experimental apparatuses are a vibrating-tube densimeter for the density measurements and two Cannon−Fenske viscosimeters for the viscosity measurements. We have calculated excess molar volumes, dynamic viscosities, and excess Gibbs energy of activation from the experimental measurements. A temperature-dependent Redlich−Kister equation represents the calculated excess molar volumes, viscosity deviations, and excess Gibbs energy of activation. The Grunberg−Nissan equation has been used to correlate the experimental kinematic viscosities of the binary liquid mixtures.

Densities and Viscosities of Binary Mixtures of n-Butanol with 2-Butanol, Isobutanol, and tert-Butanol from (303.15 to 343.15) K

In 2004, we started to develop a group contribution method aimed at estimating the temperature-dependent binary interaction parameters (kij(T)) for the widely used Peng−Robinson equation of state (EOS). This model was called PPR78 (predictive 1978, Peng Robinson EOS), because it relies on the Peng−Robinson EOS as published by Peng and Robinson in 1978 and because the addition of a group contribution method to estimate the kij value makes it predictive. In our previous papers, 12 groups were defined:  CH3, CH2, CH, C, CH4 (methane), C2H6 (ethane), CHaro, Caro, Cfused aromatic rings, CH2,cyclic, CHcyclic = Ccyclic, and CO2. Thus, it was possible to estimate the kij value for any mixture that contains alkanes, aromatics, naphthenes, and CO2, regardless of the temperature. In this study, the PPR78 model is extended to systems that contain nitrogen. To do so, the group N2 was added.

Addition of the Nitrogen Group to the PPR78 Model (Predictive 1978, Peng Robinson EOS with Temperature-Dependent kij Calculated through a Group Contribution Method)

The estimation of the physicochemical properties (density, boiling point, melting point) of a compound is a vital tool in determining its applications, manufacturing, relations with the environment, and potential hazards to workers, users, and the environment. The print component of this unique work details the theory behind physicochemical property estimation and demonstrates the methods of estimating these properties. The CD-ROM is a database of property values for thousands of organic compounds as well as a computing tool for estimating unknown compounds.

Handbook for estimating physicochemical properties of organic compounds

The viscosities, densities, and refractive indices at 20, 25, 30, and 35 °C were determined for the systems: methyl isobutyl ketone–n-butanol (MIK–B1), methyl isobutyl ketone–sec-butanol (MIK–B2), ...

Mixtures of methyl isobutyl ketone with three butanols at various temperatures

Densities, viscosities, and refractive indexes of three binary systems, tert-butyl methyl ether +n-butanol, +sec-butanol, +isobutanol, have been determined at 298.15 K and atmospheric pressure over the complete composition range. We also report calculated excess properties including molar volume, viscosity, and Gibbs free energy for the activation of flow for these systems. Keywords: binary systems, excess properties.

Densities, viscosities, and refractive indexes of tert-butyl methyl ether + butyl alcohols at 298.15 K

Viscosities, densities and refractive indexes of mixtures of methyl isobutyl ketone-isobutyl alcohol

Densities and refractive indexes of binary mixtures in the system methyl isobutyl ketone-2-butanol. Mathematical relations obtained

Densities, viscosities, and refractive indexes of the binary systems cyclohexanone + n-butanol, + sec-butanol, and + 2-methyl-1-propanol have been measured at 298.15 K and atmospheric pressure, ove...

Juan F. Ramos

Papers

Mixtures of methyl isobutyl ketone with three butanols at various temperatures

Densities, viscosities, and refractive indexes of tert-butyl methyl ether + butyl alcohols at 298.15 K

Viscosities, densities and refractive indexes of mixtures of methyl isobutyl ketone-isobutyl alcohol

Densities and refractive indexes of binary mixtures in the system methyl isobutyl ketone-2-butanol. Mathematical relations obtained

Excess properties for cyclohexanone + butanols at 298.15 K