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Surface Tensions for Binary Mixtures of Alkyl Levulinate + Alkanol: Measurement and Modeling

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Abstract

The surface tensions of binary mixtures alkyl levulinate (methyl levulinate and ethyl levulinate) + n-alkanols (methanol, ethanol, 1-propanol, and 1-butanol) at several temperatures (283.15 K, 298.15 K, and 313.15 K) and at atmospheric pressure were reported. For each binary mixture, the surface tension deviations were obtained and correlated with composition by using the Redlich–Kister polynomial expansion. These surface tension deviations vary from positive values for methanol to negative ones for 1-butanol. Regarding the behavior of surface tension deviation with alkyl levulinate, ethyl levulinate presents higher positive values or less negative ones than methyl levulinate. The computation of the surface tension was obtained with the linear square gradient theory plus the Peng–Robinson–Stryjek–Vera (PRSV-EoS). Phase equilibria for all the mixtures were predicted, because \(k_{12} = 0\) was set. Then, the densities of the homogeneous phases were obtained and used in the calculation of the surface tension, which was obtained according to two approaches, i.e., prediction and fitted, and using values constant and correlations for the parameters for both approaches. The predictive approach was not adequate because a high global deviation was obtained (3.97 %), while two adjustable parameters for the mixture in LSGT improved the representation of the variation of experimental surface tension with temperature (deviation = 1.08 %). Therefore, the simplified version of square gradient theory named LSGT guarantees good results of fitting the experimental data.

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Data Availability

Data availability is not applicable.

Abbreviations

\(\chi\) :

Influence parameter

\(\chi _{12}\) :

Cross-influence parameter

A :

Adjustable parameter of the influence parameter

a :

Cohesion parameter in the PRSV-EoS

AAD :

Statistical deviation

B :

Adjustable parameter of the influence parameter

b :

Covolume parameter in the PRSV-EoS

\(c_1\) :

Adjustable parameter of the cohesive parameter

\(c_2\) :

Adjustable parameter of the cohesive parameter

\(f_0\) :

Helmholtz energy density

\(k_{12}\) :

Interaction parameter for the quadratic mixing rule

N :

Number of experimental points

n :

Number of points in the linear gradient theory

\(n_c\) :

Number of components of the mixture

P :

Absolute pressure

R :

Universal gas constant

T :

Absolute temperature

w :

Mole fraction

x :

Liquid mole fraction

y :

Vapor mole fraction

z :

Interfacial position

\(\beta _{12}\) :

Symmetric parameter of the linear gradient theory

\(\mu\) :

Chemical potential

\(\rho\) :

Molar density

\(\sigma\) :

Surface tension

c :

Critical condition

i, j :

Species

ref :

Reference

0:

Equilibrium condition

calc :

Calculated

exp :

Experimental

L :

Liquid phase

V :

Vapor phase

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Acknowledgements

We would like to express our acknowledgment for financial assistance from the “Ministère de l’Enseignement Supérieur et de la Recherche Scientifique de la Tunisie” and Diputación General de Aragón and Fondo Social Europeo “Construyendo Europa desde Aragón” (E31_20R).

Funding

“Ministère de l’Enseignement Supérieur et de la Recherche Scientifique de la Tunisie” and Diputación General de Aragón and Fondo Social Europeo “Construyendo Europa desde Aragón” (E31_20R).

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Authors and Affiliations

  1. Département de Chimie, Université de Tunis EL Manar, Faculté des Sciences, Laboratoire des Matériaux, Cristallochimie et Thermodynamique Appliquée, LR15ES01, Tunis, 2092, Tunisia

    Raouia Abidi & Monia Hichri

  2. Departamento de Química Física, Facultad de Ciencias, Universidad de Zaragoza, 50009, Zaragoza, Spain

    Raouia Abidi & Carlos Lafuente

  3. Departamento de Ingeniería Industrial, Facultad de Ingeniería, Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción, Chile

    Ariel Hernández

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  1. Raouia Abidi
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Contributions

RA: Investigation. MH: Investigation and supervision. CL: Investigation, writing, supervision. AH: Surface tension and phase equilibria modeling, writing, supervision.

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Correspondence to Ariel Hernández.

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Abidi, R., Hichri, M., Lafuente, C. et al. Surface Tensions for Binary Mixtures of Alkyl Levulinate + Alkanol: Measurement and Modeling. Int J Thermophys 44, 33 (2023). https://doi.org/10.1007/s10765-022-03142-6

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