{"title":"Investigating Molecular Interactions in 2-Ethyl-1-butanol and C3–C6 1-Alkanols: Thermodynamic and Transport Analysis","authors":"Mohammad Almasi*, ","doi":"10.1021/acs.jced.4c00081","DOIUrl":null,"url":null,"abstract":"<p >This study offers a thorough evaluation of the thermophysical characteristics of 2-ethyl-1-butanol (2E1B) mixed with a series of straight-chain alcohols ranging from 1-propanol to 1-hexanol across 293.15–323.15 K. The work focuses on evaluating the density and viscosity of the above systems. The outcomes reveal that the mixtures exhibit positive deviations in excess molar volume, with a direct correlation with the lengthening of the carbon chain of alkanol. Viscosity deviation is negative from ideal behavior, becoming more pronounced with increasing chain length. This trend suggests the presence of weak intermolecular forces between 2E1B and normal alkanol. Besides, the investigation utilized the Cubic-Plus-Association (CPA) equation to model the binary system density. The equation exhibits a strong correlation with the experimental density, with a maximum discrepancy of only 0.46% observed in the 2E1B + 1-hexanol system. This minimal deviation emphasizes the CPA model’s effectiveness in accurately representing the density measurements.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.4c00081","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
This study offers a thorough evaluation of the thermophysical characteristics of 2-ethyl-1-butanol (2E1B) mixed with a series of straight-chain alcohols ranging from 1-propanol to 1-hexanol across 293.15–323.15 K. The work focuses on evaluating the density and viscosity of the above systems. The outcomes reveal that the mixtures exhibit positive deviations in excess molar volume, with a direct correlation with the lengthening of the carbon chain of alkanol. Viscosity deviation is negative from ideal behavior, becoming more pronounced with increasing chain length. This trend suggests the presence of weak intermolecular forces between 2E1B and normal alkanol. Besides, the investigation utilized the Cubic-Plus-Association (CPA) equation to model the binary system density. The equation exhibits a strong correlation with the experimental density, with a maximum discrepancy of only 0.46% observed in the 2E1B + 1-hexanol system. This minimal deviation emphasizes the CPA model’s effectiveness in accurately representing the density measurements.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.