芳樟醇和1-烷醇混合物的非理想混合行为研究:热力学和粘度建模方法

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Mohammad Almasi*, 
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引用次数: 0

摘要

在293.15 ~ 323.15 K的温度范围内,研究了芳樟醇(LL)与1-烷醇(1-丁醇到1-庚醇)结合的液体密度和粘度。实验结果显示,所有被测流体的粘度偏差和过量摩尔体积都与理想行为存在负偏差。过量体积的这些偏差表明LL和2-烷醇之间的分子间相互作用是显著的,主要是由不同分子之间的氢键驱动的。此外,观察到的行为突出了分子结构和醇链的位阻对混合物热力学性质的影响。用摩擦理论估计了纯化学品和二元流体的粘度。对于纯烷醇和芳樟醇,芳樟醇粘度计算的最大误差为1.43%。在二元体系中,相关值与实验结果吻合较好,其中芳樟醇+ 1-庚醇混合物的偏差最大,达到2.26%。这种紧密的对准强调了f理论在纯体系和混合体系粘度建模中的可靠性,特别是对于具有氢键相互作用的化合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Investigation of Nonideal Mixing Behavior in Linalool and 1-Alkanol Mixtures: Thermodynamics and Viscosity Modeling Approaches

Investigation of Nonideal Mixing Behavior in Linalool and 1-Alkanol Mixtures: Thermodynamics and Viscosity Modeling Approaches

The liquid densities and viscosities of linalool (LL) combined with 1-alkanols (1-butanol to 1-heptanol) were studied across a temperature range of 293.15–323.15 K. The experimental results revealed a negative deviation from ideal behavior in both viscosity deviation and excess molar volume for all of the fluids examined. These deviations in excess volume indicate that the intermolecular interactions between LL and 2-alkanols are significant, primarily driven by hydrogen bonding between unlike molecules. Furthermore, the observed behavior highlights the role of molecular structure and steric hindrance of the alcohol chain in influencing the thermodynamic properties of the mixtures. The friction theory was employed to estimate the viscosity of pure chemicals and binary fluids. For pure alkanols and linalool, the viscosity calculations demonstrated a maximum error of 1.43% for linalool. In the case of binary systems, the correlated values were in good agreement with experimental results, with the largest deviation observed for the linalool + 1-heptanol mixture, reaching 2.26%. This close alignment highlights the reliability of the f-theory in modeling viscosity for both pure and mixed systems, particularly for compounds with hydrogen bonding interactions.

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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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