Experimental and computational insight in molecular interactions of ternary mixtures of ethyleneglycoldiacetate+ 4-methylacetophenone + dibutylamine at T = (298.15 to 318.15) K

The thermodynamic properties of the ternary system consisting of ethyleneglycoldiacetate (EGDA), 4-methylacetophenone (4-MeAP), and dibutylamine (DBA), along with their binary components, were investigated at temperatures ranging from 298.15 to 318.15 K and at ambient pressure. Measurements included density (ρ), speed of sound (u), and refractive index ([Formula: see text]). The properties calculated from these measurements included excess molar volumes [Formula: see text], deviations in isentropic compressibility Δ[Formula: see text], and refractive index changes [Formula: see text]. These excess or deviation properties were analyzed using the Redlich-Kister and Cibulka equations, respectively. Additionally, the measured densities were utilized to evaluate the validity of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state, which showed good agreement with experimental results. The quantities studied provide insights into the nature and strength of intermolecular interactions between similar and dissimilar molecules.

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Publication Details

Journal
Scientific Reports
Published
2025-03-18
DOI
https://doi.org/10.1038/s41598-025-92255-7
Primary Topic
Thermodynamic properties of mixtures
Type
article
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article

Experimental and computational insight in molecular interactions of ternary mixtures of ethyleneglycoldiacetate+ 4-methylacetophenone + dibutylamine at T = (298.15 to 318.15) K

H. Iloukhani, Masumeh Farahani Farvazi, Khatereh Khanlarzadeh
Scientific Reports
Thermodynamic properties of mixtures
article

Experimental and computational insight in molecular interactions of ternary mixtures of ethyleneglycoldiacetate+ 4-methylacetophenone + dibutylamine at T = (298.15 to 318.15) K

H. Iloukhani, Masumeh Farahani Farvazi, Khatereh Khanlarzadeh
article en

Abstract

The thermodynamic properties of the ternary system consisting of ethyleneglycoldiacetate (EGDA), 4-methylacetophenone (4-MeAP), and dibutylamine (DBA), along with their binary components, were investigated at temperatures ranging from 298.15 to 318.15 K and at ambient pressure. Measurements included density (ρ), speed of sound (u), and refractive index ([Formula: see text]). The properties calculated from these measurements included excess molar volumes [Formula: see text], deviations in isentropic compressibility Δ[Formula: see text], and refractive index changes [Formula: see text]. These excess or deviation properties were analyzed using the Redlich-Kister and Cibulka equations, respectively. Additionally, the measured densities were utilized to evaluate the validity of the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state, which showed good agreement with experimental results. The quantities studied provide insights into the nature and strength of intermolecular interactions between similar and dissimilar molecules.

Scientific ReportsVol. 15(1)
Bu-Ali Sina University (IR)
Openalex Percentile: Top 96%
Thermodynamic properties of mixtures
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