Application of a Cubic Equation of State and Eyring Theory in Modeling New Experimental Data of Ethyl Heptanoate + 1-Alkanol Mixtures

For the first time, new experimental density and viscosity data for 5 binary mixtures at atmospheric pressure (0.1 MPa) and 4 temperatures ranging from 293.15 to 323.15 K are reported in this manuscript. The Peng–Robinson equation of state was extended to mixtures in order to study the modeling capability of the excess molar volume in the mixtures; with this modeling approach and using 1 and 2 adjustable parameters, the highest deviations were obtained for the ethyl heptanoate + 1-heptanol mixture, 13.41% and 12.36%, respectively. Using Redlich–Kister, the highest deviation in modeling the excess molar volume and deviation in viscosity were 6.49% (ethyl heptanoate + 1-heptanol) and 2.53% (ethyl heptanoate + 1-hexanol), respectively. Our results indicate that the attractive forces between ethyl heptanote and 1-alkanol are weak. Finally, it was found that Eyring’s theory is a tool capable of correctly capturing the variation of viscosity with mixture composition and temperature, reaching a low overall deviation of 2.50%.

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Journal
Journal of Chemical & Engineering Data
Published
2025-08-04
DOI
https://doi.org/10.1021/acs.jced.5c00363
Primary Topic
Thermodynamic properties of mixtures
Type
article
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article

Application of a Cubic Equation of State and Eyring Theory in Modeling New Experimental Data of Ethyl Heptanoate + 1-Alkanol Mixtures

Ariel Hernández, Mohammad Almasi
Journal of Chemical & Engineering Data
Thermodynamic properties of mixtures
article

Application of a Cubic Equation of State and Eyring Theory in Modeling New Experimental Data of Ethyl Heptanoate + 1-Alkanol Mixtures

Ariel Hernández, Mohammad Almasi
article en

Abstract

For the first time, new experimental density and viscosity data for 5 binary mixtures at atmospheric pressure (0.1 MPa) and 4 temperatures ranging from 293.15 to 323.15 K are reported in this manuscript. The Peng–Robinson equation of state was extended to mixtures in order to study the modeling capability of the excess molar volume in the mixtures; with this modeling approach and using 1 and 2 adjustable parameters, the highest deviations were obtained for the ethyl heptanoate + 1-heptanol mixture, 13.41% and 12.36%, respectively. Using Redlich–Kister, the highest deviation in modeling the excess molar volume and deviation in viscosity were 6.49% (ethyl heptanoate + 1-heptanol) and 2.53% (ethyl heptanoate + 1-hexanol), respectively. Our results indicate that the attractive forces between ethyl heptanote and 1-alkanol are weak. Finally, it was found that Eyring’s theory is a tool capable of correctly capturing the variation of viscosity with mixture composition and temperature, reaching a low overall deviation of 2.50%.

Journal of Chemical & Engineering DataVol. 70(8)
Fundación Universitaria San Pablo CEU (ES), Faculty (United Kingdom) (GB), University of the Americas (CL), Universidad de Las Américas (EC), Malayer University (IR)
Openalex Percentile: Top 84%
Thermodynamic properties of mixtures
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Application of a Cubic Equation of State and Eyring Theory in Modeling New Experimental Data of Ethyl Heptanoate + 1-Alkanol Mixtures — Ariel Hernández, Mohammad Almasi · Journal of Chemical & Engineering Data (2025) | TGRS Research Map | TGRS