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<p>Densities and viscosities of binary mixtures comprising 2-(dimethylamino)ethanol (DMAE) and a homologous series of 1-alkanols (1-pentanol to 1-decanol) were investigated to elucidate their molecular interactions and non-ideal thermophysical behavior. The derived properties, including excess molar volumes (<i>V</i><sup><i>E</i></sup>) and viscosity deviations (Δ<i>η</i>), exhibit positive and negative deviations from ideality, respectively. The magnitudes of both <i>V</i><sup><i>E</i></sup> and Δ<i>η</i> increase systematically with the elongation of the alkyl chain, indicating that the disruption of the alcohol’s self-associated hydrogen-bonded networks and steric hindrance dominate over specific cross-interactions. Furthermore, the Barker–Henderson (BH) perturbation theory was successfully applied to model the volumetric behavior of these complex mixtures. The BH framework demonstrated reasonable accuracy in predicting mixture densities, yielding average absolute deviations (AAD) ranging from 0.033&#xa0;% to 0.088&#xa0;%, with maximum absolute deviations not exceeding 1.227&#xa0;kg/m<sup>3</sup>. The optimized binary interaction parameter (<i>k</i><sub>12</sub>) increased progressively from 0.02 to 0.09 as the carbon chain lengthened, mathematically capturing the growing structural asymmetry and non-ideality of the systems. These findings confirm that the BH perturbation theory is a highly robust and reliable tool for correlating the thermodynamic properties of associating fluid mixtures, providing valuable insights for chemical process design and thermodynamic modeling.</p>

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Thermophysical Properties and Barker–Henderson Perturbation Modeling of 2-(Dimethylamino)ethanol + 1-Alkanol (C5–C10) Mixtures

  • 期刊论文

  • 发表日期：

    2026年8月4日

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  • Chengze Wu,
  • Sai Zhang,
  • Aymen Bourezgui,
  • Ahmad Bilal Ahmadullah,
  • Mohammad Almasi,
  • Mustafa Bayram

摘要

Densities and viscosities of binary mixtures comprising 2-(dimethylamino)ethanol (DMAE) and a homologous series of 1-alkanols (1-pentanol to 1-decanol) were investigated to elucidate their molecular interactions and non-ideal thermophysical behavior. The derived properties, including excess molar volumes (VE) and viscosity deviations (Δη), exhibit positive and negative deviations from ideality, respectively. The magnitudes of both VE and Δη increase systematically with the elongation of the alkyl chain, indicating that the disruption of the alcohol’s self-associated hydrogen-bonded networks and steric hindrance dominate over specific cross-interactions. Furthermore, the Barker–Henderson (BH) perturbation theory was successfully applied to model the volumetric behavior of these complex mixtures. The BH framework demonstrated reasonable accuracy in predicting mixture densities, yielding average absolute deviations (AAD) ranging from 0.033 % to 0.088 %, with maximum absolute deviations not exceeding 1.227 kg/m3. The optimized binary interaction parameter (k12) increased progressively from 0.02 to 0.09 as the carbon chain lengthened, mathematically capturing the growing structural asymmetry and non-ideality of the systems. These findings confirm that the BH perturbation theory is a highly robust and reliable tool for correlating the thermodynamic properties of associating fluid mixtures, providing valuable insights for chemical process design and thermodynamic modeling.