Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K

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Highlights

  • Physico-chemical properties data of n-hexadecane + alkylbenzenes mixtures were reported.

  • The densities data were used to calculate the volumetric properties.

  • The refractive index data were used to calculate the excess molar refractions.

  • The viscosity data were tested by few semi-empirical equations.

  • The results are discussed in terms of structural effects between components.

Abstract

The thermophysical properties (density, speed of sound, viscosity and refractive index) for the binary mixtures of n-hexadecane with n-propylbenzene and sec-butylbenzene, were measured at temperatures in the range of (298.15–318.15) K and pressure of 0.1 MPa. The obtained experimental results were used to calculate the excess and deviation quantities, namely the excess molar volumes, the excess speed of sound, the excess isentropic compressibilities, excess molar isentropic compressibility, the deviation in viscosities, the deviation in refractive indices, and the excess molar refractions. The correlation of these excess properties was made by help of the Redlich-Kister type polynomial expression.

The experimental viscosity values were compared with those calculated by using several different equations: Grunberg–Nissan, Katti Chaudry, Hind, Dolezalek, and three-body McAllister interaction model.

Some theoretical (n,ρ) mixing rules (Lorentz-Lorenz, Gladstone-Dale, Arago-Biot, Edwards and Eykman) usually used in predicting the refractive indexes were assessed.

The experimental and calculated results are discussed from the point of view of the molecular interactions between components of mixtures and their structural effects.

Graphical abstract

Plot of variation with temperature of excess molar volume (VE) against mole fraction (x1) for n-hexadecane (1) + sec-butylbenzene (2) binary mixture; (—) Redlich–Kister correlation.

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Introduction

The thermophysical and thermodynamic properties are very important for obtaining the fundamental data of various molecular liquids mixtures from different classes of compounds and for understanding the behaviour of interactions occurred between the components of these mixtures. These data are useful in chemical and petrochemical engineering designs with diverse applications: for phase separation processes and waste materials recycling, for surface facilities production operations and pipeline systems, etc., as well as in solutions theory and molecular thermodynamics for confirmation and development of theoretical and empirical models of pure fluids and mixtures [1].

The thermophysical properties such as the densities, speeds of sound, kinematic and/or dynamic viscosities and the refractive indices, as well as their related magnitudes (the excess/deviation thermodynamic quantities and volumetric/apparent molar quantities) are largely revealed in open literature [2], [3], [4], [5].

In recent years the studies of the thermophysical properties and thermodynamic behavior of n-alkane with long chain, both pure and in mixture with different organic compounds, have received a considerable interest [6], [7], [8].

Our present paper represents a continuation of the research project on studying the thermophysical properties for some binary mixtures of heavy alkanes with alkyl benzenes and follows up the program we have started with n-hexadecane + iso-propylbenzene and + tert-butylbenzene mixtures, whose results were recently published [9].

A review of the open literature has shown that the experimental measurements of physico-chemical properties for n-hexadecane + alkylbenzenes mixtures are rather scarce [10], [11], [12], [13] and, for the presented systems, there are no experimental data available [14], [15].

In this paper we report the experimental data of densities, speeds of sound, viscosities and refractive indices, for new selected binary mixtures of n-hexadecane with n-propylbenzene and sec-butylbenzene, in the temperature range (298.15–318.15) K and pressure of 0.1 MPa.

At the same time, our experimental data could lead to the enlargement of thermodynamic database required to engineering design in industries of fuels derived from petroleum and from alternative sources, because the mixtures of n-hexadecane + alkylbenzenes represent fuel surrogate mixtures often studied for reducing the complexity of the combustion modeling of different types of fuels. Fuel surrogates are mixtures of one or more simple fuels that are designed to simulate the physical properties or combustion properties of a more complex fuel.

A short survey of literature related to these industrial applications for the mixtures of n-hexadecane with aromatic hydrocarbons are presented in papers [11], [12], [13].

Section snippets

Chemicals

In this study the commercial products of first grade purity from Sigma-Aldrich (n-Propylbenzene 98%) and Aldrich (n-Hexadecane 99%, sec-Butylbenzene 99%) were used.

In Table 1 the providers and the purity levels of the chemicals are shown. Before using, the liquids were dried and stored on 4A molecular sieves and no further purification was applied.

The purity of substances was further checked by comparing measured properties (densities, speeds of sound, refractive indices, and viscosities) of

Excess volume

The excess molar volumes, VE, for the each mixture were calculated using the experimental densities data of the pure liquids and their mixtures by means of relation:VE=x1M1+x2M2ρ-x1M1ρ1-x2M2ρ2

where x1, x2 are the mole fractions, M1, M2 molar masses and ρ1, ρ2 the densities of the pure liquid components 1 and 2, respectively, ρ being the density of the binary mixture.

The experimental densities values, ρ, and the calculated molar excess volumes, VE, for binary mixtures of n-hexadecane with the

Conclusions

The experimental data for density, ρ, speed of sound, u, viscosity, η, and refractive index, nD, for two binary mixtures: n-hexadecane + n-propylbenzene and n-hexadecane + sec-butylbenzene, have been measured over the whole composition range, at temperatures T =  (298.15–318.15) K and atmospheric pressure, p = 0.1 MPa.

From experimentally measured values, the excess and/or deviation properties, as: excess molar volume, VE, excess speed of sound, uE, isentropic compressibility, kS, excess

Acknowledgements

The authors gratefully acknowledge the financial support of the Romanian Academy (RA) and the Belarusian Republican Foundation for Fundamental Research (bilateral project 2016-2017). The Romanian authors express their gratitude to the RA for the financing the research programme “Chemical thermodynamics and kinetics. Quantum chemistry” in the “Ilie Murgulescu” Institute of Physical Chemistry. The financial support of the EU (ERDF) and Romanian Government, which allowed the acquisition of the

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