Exploring molecular interactions between methyl Myristate and 2-alcohols: Free volume theory perspective

IF 2.2 3区工程技术 Q3 CHEMISTRY, PHYSICAL

Journal of Chemical Thermodynamics Pub Date : 2025-03-27 DOI:10.1016/j.jct.2025.107485

Sanaz Gharehzadeh Shirazi, Samaneh Heydarian, Hassan Moghanian, Mohamad Naseh

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Abstract

This study investigates the thermophysical properties of binary mixtures consisting of methyl myristate (MM) and a homologous series of 2-alkanols (ranging from 2-propanol to 2-hexanol) over a temperature range of 293.15 to 323.15 K. Experimental measurements of liquid densities and viscosities reveal significant deviations from ideal behavior, characterized by positive excess molar volumes and negative viscosity deviations across all examined mixtures. The observed positive deviations in excess molar volume suggest weak intermolecular interactions between MM and the 2-alkanols. Furthermore, both an increase in the alkyl chain length of the 2-alkanols and temperature rise were found to reduce these molecular interactions, leading to more pronounced excess volumes. To better understand the viscosity behavior of both pure components and their mixtures, we applied free volume theory. This theoretical approach demonstrated excellent agreement with experimental data, with a maximum deviation of only 2.41 % observed in the MM/2-propanol system.

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从自由体积理论的角度探讨肉豆肉酸甲酯与2-醇之间的分子相互作用

在293.15 ~ 323.15 K的温度范围内，研究了肉豆肉酸甲酯（MM）和同源系列2-烷醇（从2-丙醇到2-己醇）二元混合物的热物理性质。液体密度和粘度的实验测量显示了与理想行为的显著偏差，其特征是所有检测混合物的过量摩尔体积为正，粘度偏差为负。观察到的过量摩尔体积的正偏差表明MM和2-烷醇之间的分子间相互作用较弱。此外，发现2-烷醇烷基链长度的增加和温度的升高都减少了这些分子相互作用，导致更明显的过量体积。为了更好地理解纯组分及其混合物的粘度行为，我们应用了自由体积理论。该理论方法与实验数据非常吻合，在MM/2-丙醇体系中观测到的最大偏差仅为2.41%。

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来源期刊

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.