{"title":"二丁基醚和丁烷-1-醇二元混合物等压气液平衡和动态粘度的测量和理论建模","authors":"Juan M. Uceda, Marcela Cartes and Andrés Mejía*, ","doi":"10.1021/acs.jced.4c0072510.1021/acs.jced.4c00725","DOIUrl":null,"url":null,"abstract":"<p >Given the high relevance of oxygenated fuel additives, this work provides new and consistent measurements on the low-pressure isobaric vapor-liquid equilibria (VLE) and the dynamic viscosity under room conditions of the dibutyl ether and butan-1-ol binary mixture and their modeling within the entire range of composition by applying the SAFT-VR Mie EoS coupled with the A-Scaling Theory. Experimentally, VLE is attained in a Gillespie-type cell under 50.00, 75.00, and 94.00 kPa, while a Stabinger viscometer is used to quantify the viscosity at 298.15 K and 101.3 kPa. The consistency of the VLE data is carried out using isobaric Herrington and point-point Fredenslund tests. From the reported VLE data, azeotropic behavior with a positive deviation from Raoult’s law is observed under all explored isobaric conditions, and it obeys Wrewski’s law. Despite some overestimation of the azeotropic temperatures, the SAFT-VR Mie EoS can reproduce the VLE. The A-Scaling Theory using SAFT-VR Mie EoS predicts the dynamic viscosity of the mixture after modeling the same property for each pure fluid using available experimental data. The transport property is well described qualitatively, while an extended SAFT-based description is provided as an early direct application to biofuels characterization.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 6","pages":"2371–2385 2371–2385"},"PeriodicalIF":2.1000,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Measurements and Theoretical Modeling of Isobaric Vapor–Liquid Equilibria and Dynamic Viscosity for the Dibutyl Ether and Butan-1-ol Binary Mixture\",\"authors\":\"Juan M. Uceda, Marcela Cartes and Andrés Mejía*, \",\"doi\":\"10.1021/acs.jced.4c0072510.1021/acs.jced.4c00725\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Given the high relevance of oxygenated fuel additives, this work provides new and consistent measurements on the low-pressure isobaric vapor-liquid equilibria (VLE) and the dynamic viscosity under room conditions of the dibutyl ether and butan-1-ol binary mixture and their modeling within the entire range of composition by applying the SAFT-VR Mie EoS coupled with the A-Scaling Theory. Experimentally, VLE is attained in a Gillespie-type cell under 50.00, 75.00, and 94.00 kPa, while a Stabinger viscometer is used to quantify the viscosity at 298.15 K and 101.3 kPa. The consistency of the VLE data is carried out using isobaric Herrington and point-point Fredenslund tests. From the reported VLE data, azeotropic behavior with a positive deviation from Raoult’s law is observed under all explored isobaric conditions, and it obeys Wrewski’s law. Despite some overestimation of the azeotropic temperatures, the SAFT-VR Mie EoS can reproduce the VLE. The A-Scaling Theory using SAFT-VR Mie EoS predicts the dynamic viscosity of the mixture after modeling the same property for each pure fluid using available experimental data. The transport property is well described qualitatively, while an extended SAFT-based description is provided as an early direct application to biofuels characterization.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 6\",\"pages\":\"2371–2385 2371–2385\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-04-30\",\"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.4c00725\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.4c00725","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}
Measurements and Theoretical Modeling of Isobaric Vapor–Liquid Equilibria and Dynamic Viscosity for the Dibutyl Ether and Butan-1-ol Binary Mixture
Given the high relevance of oxygenated fuel additives, this work provides new and consistent measurements on the low-pressure isobaric vapor-liquid equilibria (VLE) and the dynamic viscosity under room conditions of the dibutyl ether and butan-1-ol binary mixture and their modeling within the entire range of composition by applying the SAFT-VR Mie EoS coupled with the A-Scaling Theory. Experimentally, VLE is attained in a Gillespie-type cell under 50.00, 75.00, and 94.00 kPa, while a Stabinger viscometer is used to quantify the viscosity at 298.15 K and 101.3 kPa. The consistency of the VLE data is carried out using isobaric Herrington and point-point Fredenslund tests. From the reported VLE data, azeotropic behavior with a positive deviation from Raoult’s law is observed under all explored isobaric conditions, and it obeys Wrewski’s law. Despite some overestimation of the azeotropic temperatures, the SAFT-VR Mie EoS can reproduce the VLE. The A-Scaling Theory using SAFT-VR Mie EoS predicts the dynamic viscosity of the mixture after modeling the same property for each pure fluid using available experimental data. The transport property is well described qualitatively, while an extended SAFT-based description is provided as an early direct application to biofuels characterization.
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.