Experimental and Modeling Molecular Interactions Between Ethyl Myristate and 2-Alkanol

IF 2.5 4区 工程技术 Q3 CHEMISTRY, PHYSICAL International Journal of Thermophysics Pub Date : 2024-10-04 DOI:10.1007/s10765-024-03438-9
Mohammad Almasi, Ariel Hernández
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Abstract

This manuscript presents new experimental data (density and viscosity) for the binary mixtures of ethyl myristate with different secondary alcohols (2-propanol, 2-butanol, 2-pentanol, and 2-hexanol). Experimental measurements were conducted at various temperatures (293.15 K to 323.15 K), atmospheric pressure (0.1 MPa), covering a wide range of compositions for the binary mixtures. Using the experimental density and viscosity values, the molar volume excess and deviation in viscosity were obtained and the molecular interaction forces were studied as weak or strong. PC-SAFT successfully modeled the density of the mixtures without requiring any fitted parameters for the mixture. In this modeling, hydrogen bond interactions between ethyl myristate and 2-alkanol were considered. Finally, the experimental viscosity data were successfully modeled with a non-linear Belda model.

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肉豆蔻酸乙酯与 2-烷醇之间的分子相互作用的实验和建模
本手稿提供了肉豆蔻酸乙酯与不同仲醇(2-丙醇、2-丁醇、2-戊醇和 2-己醇)二元混合物的新实验数据(密度和粘度)。实验测量在不同的温度(293.15 K 至 323.15 K)和大气压力(0.1 MPa)下进行,涵盖了二元混合物的多种成分。利用实验密度和粘度值,得出了摩尔体积过量和粘度偏差,并研究了分子相互作用力的强弱。PC-SAFT 成功地模拟了混合物的密度,而不需要混合物的任何拟合参数。在建模过程中,考虑了肉豆蔻酸乙酯和 2-乙醇之间的氢键相互作用。最后,利用非线性贝尔达模型成功地模拟了实验粘度数据。
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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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