{"title":"Investigation of the behavior of methyl octanoate and 2-alkanol mixtures: Evaluating the friction theory","authors":"Samaneh Heydarian, Sanaz Gharehzadeh Shirazi","doi":"10.1016/j.jct.2025.107578","DOIUrl":null,"url":null,"abstract":"<div><div>This study investigated the volumetric and viscous properties of binary mixtures composed of methyl octanoate (MO) and a series of 2-alkanols (ranging from C3 to C6) across a temperature range of 293.15 to 323.15 K. Experimental analysis indicated positive excess molar volumes and negative viscosity deviations, suggesting comparatively weak intermolecular interactions between MO and the 2-alkanol molecules. The observed positive excess molar volumes suggest that the mixing process results in an expansion, potentially due to disruption of self-associated structures within the pure components. Conversely, the negative viscosity deviations indicate a decrease in resistance to flow compared to ideal mixing, further supporting the notion of reduced cohesive forces in the mixtures. To further elucidate the mixture behavior and provide a predictive capability, the Friction theory (f-theory) was employed to model the viscosity of the mixtures. The model exhibited a high degree of accuracy, with a maximum discrepancy of only 2.32 % observed for the MO + 2-hexanol system. This close agreement between the theoretical predictions and experimental data underscores the utility of the f-theory as a robust tool for predicting the rheological behavior of these binary mixtures, offering potential applications in fields such as chemical process design and optimization.</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"212 ","pages":"Article 107578"},"PeriodicalIF":2.2000,"publicationDate":"2025-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Thermodynamics","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021961425001326","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
This study investigated the volumetric and viscous properties of binary mixtures composed of methyl octanoate (MO) and a series of 2-alkanols (ranging from C3 to C6) across a temperature range of 293.15 to 323.15 K. Experimental analysis indicated positive excess molar volumes and negative viscosity deviations, suggesting comparatively weak intermolecular interactions between MO and the 2-alkanol molecules. The observed positive excess molar volumes suggest that the mixing process results in an expansion, potentially due to disruption of self-associated structures within the pure components. Conversely, the negative viscosity deviations indicate a decrease in resistance to flow compared to ideal mixing, further supporting the notion of reduced cohesive forces in the mixtures. To further elucidate the mixture behavior and provide a predictive capability, the Friction theory (f-theory) was employed to model the viscosity of the mixtures. The model exhibited a high degree of accuracy, with a maximum discrepancy of only 2.32 % observed for the MO + 2-hexanol system. This close agreement between the theoretical predictions and experimental data underscores the utility of the f-theory as a robust tool for predicting the rheological behavior of these binary mixtures, offering potential applications in fields such as chemical process design and optimization.
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.