Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath,
{"title":"六氟环氧丙烷和丙烷体系在(283.05,303.05,323.05)K下的相平衡研究:实验测量和热力学建模","authors":"Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath, ","doi":"10.1021/acs.jced.5c0025110.1021/acs.jced.5c00251","DOIUrl":null,"url":null,"abstract":"<p >This study presents the vapor–liquid equilibrium data of two fluorinated systems: R116 + propane, as a test system to validate both the experimental setup and the procedure, and hexafluoropropylene oxide + propane, as a novel system. Measurements of vapor–liquid equilibrium data were achieved via a static-analytical setup equipped with the ROLSI device for phase sampling and gas chromatography for composition analysis. The expanded uncertainties for temperature, pressure, and composition measurements were estimated at 0.02 K, 0.008 MPa, and 0.006, respectively. Thermodynamic modeling of the experimental VLE data was via the direct method, using the Peng–Robinson equation of state with the Mathias–Copeman α function and the Wong-Sandler mixing rule, incorporating the nonrandom two-liquid activity coefficient model. The deviations AAD<sub><i>xy</i></sub> and Bias<sub><i>xy</i></sub> between the measured and the computed data were determined to be less than 2%, indicating a good agreement between the model and the measurements. The successful correlation of the experimental data demonstrates the reliability of the experimental approach used and provides valuable insights into the thermodynamic behavior of the investigated fluorinated systems. The hexafluoropropylene oxide + propane system was found to exhibit azeotropic behavior across the investigated isotherms, with azeotropic compositions not varying significantly with temperature.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 6","pages":"2415–2421 2415–2421"},"PeriodicalIF":2.1000,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase Equilibrium Study of Hexafluoropropylene Oxide and Propane System at (283.05, 303.05, 323.05) K: Experimental Measurements and Thermodynamic Modeling\",\"authors\":\"Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath, \",\"doi\":\"10.1021/acs.jced.5c0025110.1021/acs.jced.5c00251\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This study presents the vapor–liquid equilibrium data of two fluorinated systems: R116 + propane, as a test system to validate both the experimental setup and the procedure, and hexafluoropropylene oxide + propane, as a novel system. Measurements of vapor–liquid equilibrium data were achieved via a static-analytical setup equipped with the ROLSI device for phase sampling and gas chromatography for composition analysis. The expanded uncertainties for temperature, pressure, and composition measurements were estimated at 0.02 K, 0.008 MPa, and 0.006, respectively. Thermodynamic modeling of the experimental VLE data was via the direct method, using the Peng–Robinson equation of state with the Mathias–Copeman α function and the Wong-Sandler mixing rule, incorporating the nonrandom two-liquid activity coefficient model. The deviations AAD<sub><i>xy</i></sub> and Bias<sub><i>xy</i></sub> between the measured and the computed data were determined to be less than 2%, indicating a good agreement between the model and the measurements. The successful correlation of the experimental data demonstrates the reliability of the experimental approach used and provides valuable insights into the thermodynamic behavior of the investigated fluorinated systems. The hexafluoropropylene oxide + propane system was found to exhibit azeotropic behavior across the investigated isotherms, with azeotropic compositions not varying significantly with temperature.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 6\",\"pages\":\"2415–2421 2415–2421\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-05-15\",\"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.5c00251\",\"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.5c00251","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}
Phase Equilibrium Study of Hexafluoropropylene Oxide and Propane System at (283.05, 303.05, 323.05) K: Experimental Measurements and Thermodynamic Modeling
This study presents the vapor–liquid equilibrium data of two fluorinated systems: R116 + propane, as a test system to validate both the experimental setup and the procedure, and hexafluoropropylene oxide + propane, as a novel system. Measurements of vapor–liquid equilibrium data were achieved via a static-analytical setup equipped with the ROLSI device for phase sampling and gas chromatography for composition analysis. The expanded uncertainties for temperature, pressure, and composition measurements were estimated at 0.02 K, 0.008 MPa, and 0.006, respectively. Thermodynamic modeling of the experimental VLE data was via the direct method, using the Peng–Robinson equation of state with the Mathias–Copeman α function and the Wong-Sandler mixing rule, incorporating the nonrandom two-liquid activity coefficient model. The deviations AADxy and Biasxy between the measured and the computed data were determined to be less than 2%, indicating a good agreement between the model and the measurements. The successful correlation of the experimental data demonstrates the reliability of the experimental approach used and provides valuable insights into the thermodynamic behavior of the investigated fluorinated systems. The hexafluoropropylene oxide + propane system was found to exhibit azeotropic behavior across the investigated isotherms, with azeotropic compositions not varying significantly with temperature.
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.