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 (<InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_92255_Article_IEq1.gif" Format="GIF" Height="12" Rendition="HTML" Resolution="72" Type="Linedraw" Width="23" /> </InlineMediaObject> <EquationSource Format="TEX">\(\:{n}_{D}\)</EquationSource> </InlineEquation>). The properties calculated from these measurements included excess molar volumes <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_92255_Article_IEq2.gif" Format="GIF" Height="21" Rendition="HTML" Resolution="72" Type="Linedraw" Width="27" /> </InlineMediaObject> <EquationSource Format="TEX">\(\:{\:V}_{m}^{E}\)</EquationSource> </InlineEquation>, deviations in isentropic compressibility Δ<InlineEquation ID="IEq3"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_92255_Article_IEq3.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="21" /> </InlineMediaObject> <EquationSource Format="TEX">\(\:{K}_{\text{s}}\)</EquationSource> </InlineEquation>, and refractive index changes <InlineEquation ID="IEq4"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41598_2025_92255_Article_IEq4.gif" Format="GIF" Height="16" Rendition="HTML" Resolution="72" Type="Linedraw" Width="41" /> </InlineMediaObject> <EquationSource Format="TEX">\(\:\varDelta\:{n}_{D}\)</EquationSource> </InlineEquation>. 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.

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

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2025年3月18日

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Masumeh Farahani Farvazi,
Hossein Iloukhani,
Khatereh Khanlarzadeh

摘要

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 ( \(\:{n}_{D}\) ). The properties calculated from these measurements included excess molar volumes \(\:{\:V}_{m}^{E}\) , deviations in isentropic compressibility Δ \(\:{K}_{\text{s}}\) , and refractive index changes \(\:\varDelta\:{n}_{D}\) . 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.