通过 CPA 建模和实验分析探索 2 甲基-1-丁醇和 C7-C10 脂肪醇的热力学性质

IF 2.2 3区 工程技术 Q3 CHEMISTRY, PHYSICAL
Mohammad Almasi
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引用次数: 0

摘要

本文研究了 2-甲基-1-丁醇和 C7-C10 正醇(1-庚醇至 1-癸醇)的热力学和传输特性,重点是它们的二元混合物。实验分析的温度范围为 293.15 至 323.15 K,期间测量了这些混合物的密度和粘度。研究结果表明,所有二元混合物都表现出正过量摩尔体积,随着醇中烷基链长度的增加,过量摩尔体积逐渐增大。同时,在所有混合物中观察到的粘度偏差始终显示为负值,随着烷基链的延长而变得更加明显。混合物的这一行为凸显了 2-甲基-1-丁醇和醇之间微弱的分子相互作用。结合实验工作,本研究利用立方加联立方程(CPA)模型建立了这些二元混合物密度之间的相关性。该模型与实验密度的一致性令人满意,这表明它在关联此类混合物的密度行为方面非常有效。在 2-甲基-1-丁醇与 1-庚醇的混合物中,实验数据与 CPA 模型的相关值之间的差异最大,仅为 0.29%。这一微小偏差突出表明了 CPA 模型在再现实验结果方面的相关性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exploring the thermodynamic properties of 2-Methyl-1-butanol and C7-C10 alcohols through CPA modeling and experimental analysis

This paper presents an investigation into the thermodynamic and transport characteristics of 2-methyl-1-butanol and C7-C10 normal alcohols (1-heptanol to 1-decanol), with a specific focus on their binary mixtures. The experimental analysis encompassed a temperature range of 293.15 to 323.15 K, during which the density and viscosity of these mixtures were measured. The study reveals that all the binary mixtures exhibit positive excess molar volumes, which progressively increase as the alkyl chain length in the alcohols increases. Simultaneously, the observed viscosity deviations consistently display negative values across all the mixtures, becoming more pronounced as the alkyl chain lengthens. This behavior of the mixtures highlights the weak molecular interactions between 2-methyl-1-butanol and alcohols. In conjunction with the experimental work, this study utilizes the Cubic-Plus-Association (CPA) model to establish a correlation between the densities of these binary mixtures. The model demonstrates a satisfactory agreement with the experimental densities, signifying its efficacy in correlating the density behavior of such mixtures. The largest discrepancy between the experimental data and the correlated values from the CPA model was observed in the mixture of 2-methyl-1-butanol with 1-heptanol, amounting to a mere 0.29 %. This minor deviation underscores the correlation of the CPA model in reproducing experimental results.

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来源期刊
Journal of Chemical Thermodynamics
Journal of Chemical Thermodynamics 工程技术-热力学
CiteScore
5.60
自引率
15.40%
发文量
199
审稿时长
79 days
期刊介绍: The Journal of Chemical Thermodynamics exists primarily for dissemination of significant new knowledge in experimental equilibrium thermodynamics and transport properties of chemical systems. The defining attributes of The Journal are the quality and relevance of the papers published. The Journal publishes work relating to gases, liquids, solids, polymers, mixtures, solutions and interfaces. Studies on systems with variability, such as biological or bio-based materials, gas hydrates, among others, will also be considered provided these are well characterized and reproducible where possible. Experimental methods should be described in sufficient detail to allow critical assessment of the accuracy claimed. Authors are encouraged to provide physical or chemical interpretations of the results. Articles can contain modelling sections providing representations of data or molecular insights into the properties or transformations studied. Theoretical papers on chemical thermodynamics using molecular theory or modelling are also considered. The Journal welcomes review articles in the field of chemical thermodynamics but prospective authors should first consult one of the Editors concerning the suitability of the proposed review. Contributions of a routine nature or reporting on uncharacterised materials are not accepted.
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