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<p>Densities and dynamic viscosities of binary mixtures containing propyl butanoate (PB) with 2-propanol, 2-butanol, 2-pentanol, 2-hexanol, and 2-heptanol were measured at temperatures ranging from 293.15&#xa0;K to 323.15&#xa0;K and ambient pressure. Two distinct modeling approaches were developed and rigorously evaluated against the experimental data: the Modified Extended Cohen-Turnbull Model (M-ECTM) and the Excess Free Volume Corrected UNIFAC-VISCO (EFVC-UNIFAC) model. While the standard UNIFAC-VISCO group-contribution method exhibited substantial systematic deviations (global AARD = 8.0%, bias = − 6.8%) due to its inability to capture hydrogen-bonding disruption and volume expansion effects, both proposed models achieved significant improvements. The M-ECTM, incorporating composition-dependent activation barriers via Redlich-Kister expansion, yielded the highest overall accuracy with a global AARD of 2.9% and MaxAD of 5.8%, utilizing three adjustable parameters per binary system. Conversely, the EFVC-UNIFAC approach, which introduces a single corrective term proportional to the experimental excess molar volume (<i>V</i><sup>E</sup>), achieved comparable precision (global AARD = 3.1%, MaxAD = 7.2%) with only one binary parameter (ξ<sub>12</sub>). This parameter exhibited an increasing trend with increasing alcohol chain length (0.048 for 2-propanol to 0.084 for 2-hepatanol). Both models effectively eliminated systematic bias (|bias| &lt; 0.5%), with the M-ECTM performing marginally better for longer-chain alcohols and the EFVC-UNIFAC demonstrating superior statistical efficiency. These results establish that the M-ECTM is optimal for maximum precision, whereas the EFVC-UNIFAC offers an excellent compromise between accuracy and parsimony for engineering applications involving ester-alcohol mixtures.</p>

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Viscosity modeling of propyl butanoate and 2-alkanol mixtures using modified Cohen-Turnbull and UNIFAC-VISCO approaches

  • 期刊论文

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  • 发表日期：

    2026年7月12日

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  • Mohammad Almasi,
  • Adel Noubigh

摘要

Densities and dynamic viscosities of binary mixtures containing propyl butanoate (PB) with 2-propanol, 2-butanol, 2-pentanol, 2-hexanol, and 2-heptanol were measured at temperatures ranging from 293.15 K to 323.15 K and ambient pressure. Two distinct modeling approaches were developed and rigorously evaluated against the experimental data: the Modified Extended Cohen-Turnbull Model (M-ECTM) and the Excess Free Volume Corrected UNIFAC-VISCO (EFVC-UNIFAC) model. While the standard UNIFAC-VISCO group-contribution method exhibited substantial systematic deviations (global AARD = 8.0%, bias = − 6.8%) due to its inability to capture hydrogen-bonding disruption and volume expansion effects, both proposed models achieved significant improvements. The M-ECTM, incorporating composition-dependent activation barriers via Redlich-Kister expansion, yielded the highest overall accuracy with a global AARD of 2.9% and MaxAD of 5.8%, utilizing three adjustable parameters per binary system. Conversely, the EFVC-UNIFAC approach, which introduces a single corrective term proportional to the experimental excess molar volume (VE), achieved comparable precision (global AARD = 3.1%, MaxAD = 7.2%) with only one binary parameter (ξ12). This parameter exhibited an increasing trend with increasing alcohol chain length (0.048 for 2-propanol to 0.084 for 2-hepatanol). Both models effectively eliminated systematic bias (|bias| < 0.5%), with the M-ECTM performing marginally better for longer-chain alcohols and the EFVC-UNIFAC demonstrating superior statistical efficiency. These results establish that the M-ECTM is optimal for maximum precision, whereas the EFVC-UNIFAC offers an excellent compromise between accuracy and parsimony for engineering applications involving ester-alcohol mixtures.