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Investigation on the Surface Tension and Viscosity of (dimethylsulfoxide + alcohol) Mixtures by Using Gradient Theory and Eyring’s Rate Theory

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Abstract

The present study has been dedicated to modeling the surface tension and viscosity of (dimethylsulfoxide + alcohol) mixtures. The self and cross-association have been considered for both alcohol and dimethylsulfoxide, and the Cubic-Plus-Association equation of state is applied to the phase equilibrium calculations. The binary interaction parameters are obtained according to the experimental phase equilibrium data, taking advantage of accurate description of the phase equilibrium. Then the gradient theory is used to describe the surface tension and interface of (dimethylsulfoxide + alcohol) mixtures. Moreover, the Eyring’s rate theory is used to model the viscosity of (dimethylsulfoxide + alcohol) binary system. For more accurate description of the viscosity, an adjustable parameter of the Eyring’s rate theory is fitted based on the experimental viscosity data. The results of this investigation show that the application of association performs well for modeling the surface tension and viscosity of (dimethylsulfoxide + alcohol) mixtures.

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Abbreviations

\(a\) :

Attractive parameter in CPA EOS [J·m3·mol−2]

\(a_{0}\) :

Adjustable parameter of the CPA EOS

\(AAD\) :

Average absolute deviation (%)

\(b\) :

Covolume in the EOS [m3·mol−1]

\(A_{r} , B_{r}\) :

The adjustable parameters of the gradient theory

\(c_{1}\) :

Adjustable parameter of the CPA EOS

\(CPA\) :

Cubic-Plus-Association

\(C_{r}\) :

An adjustable parameter of the Eyring model

\(f_{0}\) :

Helmholtz free energy density [J·m−3]

\(g\) :

Simplified radial distribution function

\(k_{ij}\) :

Binary interaction parameter for the attractive parameter in the CPA EOS

\(N\) :

The number of experimental points

\(N_{0}\) :

Avogadro constant

\(P\) :

Pressure [Pa]

\(R\) :

Ideal gas constant [J·mol−1·K−1]

\(T\) :

Temperature [K]

\(T_{c}\) :

Critical temperature [K]

\(T_{r}\) :

Reduced temperature

\(X_{{A_{i} }}\) :

The pure component i mole fraction (not bonded at site A)

\(x_{i}\) :

Mole fraction of each component i in the liquid phase

\(y_{i}\) :

Mole fraction of each component i in the vapor phase

\(z\) :

Position in the interface [m]

\(Z\) :

Compressibility factor

\(\beta^{{A_{i} B_{i} }}\) :

The association volume

\(\Delta^{{A_{i} B_{j} }}\) :

Association strength

\(\varepsilon^{{A_{i} B_{i} }}\) :

The association energy [J·mol−1]

\(\eta\) :

Reduced density

\(\kappa\) :

Influence parameter [J·m5·mol−2]

\(\mu\) :

Chemical potential [J·mol−1]

\(\rho\) :

Mole density [mol·m−3]

\(\sigma\) :

Surface tension [N·m−1]

\(\varOmega\) :

Grand thermodynamic potential [J·m−3]

\(B\) :

Bulk

\(i,j\) :

Components i and j

\(S\) :

Surface

\(assoc\) :

Association

\(calc\) :

Calculated result

\(exp\) :

Experimental

\(L\) :

Liquid

\(phys\) :

Physical

\(ref\) :

Reference variable

\(V\) :

Vapor

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Authors and Affiliations

  1. Facultad de Ingeniería, Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción, Chile

    Ariel Hernández

  2. Iranian Institute of Research & Development in Chemical Industries (IRDCI)-ACECR, Tehran, Iran

    Shahin Khosharay

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  1. Ariel Hernández
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Hernández, A., Khosharay, S. Investigation on the Surface Tension and Viscosity of (dimethylsulfoxide + alcohol) Mixtures by Using Gradient Theory and Eyring’s Rate Theory. Int J Thermophys 41, 150 (2020). https://doi.org/10.1007/s10765-020-02732-6

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