Thermophysical Properties of Acetylacetone + C6-C10 1-Alkanol: PC-SAFT Study

IF 2.9 4区 工程技术 Q3 CHEMISTRY, PHYSICAL
Mohammad Almasi
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引用次数: 0

Abstract

This investigation explores the volumetric and viscometric behavior of binary systems containing acetylacetone (ACAC) and a series of 1-alkanols, specifically from 1-hexanol to 1-decanol and at 293.15–323.15 K. The main purpose was to characterize the molecular interactions and non-ideal behavior within these systems. Our findings indicate that the excess molar volumes for all analyzed systems are positive across the entire composition range. Furthermore, these positive deviations in volume were observed to amplify with both increasing temperature and the extension of the carbon backbone. In contrast, the viscosity deviations were consistently negative for all mixtures, with the magnitude of these negative deviations becoming more pronounced as the carbon number of the alcohol component increased. To further interpret the volumetric behavior of the binary mixtures, the PC-SAFT equation was implemented to model the liquid densities. The calculated densities from PC-SAFT showed strong agreement with the measured values across all systems and temperatures. The highest observed deviation between experimental and predicted densities was 0.87%, which was found in the acetylacetone + 1-decanol mixture. This level of accuracy demonstrates the reliability of the PC-SAFT approach in capturing the complex interactions within these non-ideal binary systems.

乙酰丙酮+ C6-C10 - 1-烷醇的热物理性质:PC-SAFT研究
本研究探讨了含有乙酰丙酮(ACAC)和一系列1-烷醇的二元体系的体积和粘度行为,特别是从1-己醇到1-癸醇,温度为293.15-323.15 K。主要目的是表征这些系统中的分子相互作用和非理想行为。我们的研究结果表明,所有分析系统的过量摩尔体积在整个组成范围内都是正的。此外,这些正的体积偏差随着温度的升高和碳主链的延长而扩大。相反,所有混合物的粘度偏差始终为负,随着醇组分碳数的增加,这些负偏差的幅度变得更加明显。为了进一步解释二元混合物的体积行为,采用PC-SAFT方程来模拟液体密度。PC-SAFT计算的密度与所有系统和温度下的实测值非常吻合。在乙酰丙酮+ 1-癸醇混合物中,实验密度与预测密度之间的最大偏差为0.87%。这种精度水平证明了PC-SAFT方法在捕获这些非理想二元系统中的复杂相互作用方面的可靠性。
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来源期刊
CiteScore
4.10
自引率
9.10%
发文量
179
审稿时长
5 months
期刊介绍: International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.
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