Kaleng Jim Chiyen, Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath,
{"title":"乙烷+六氟环氧丙烷(HFPO)体系的VLE实验数据和热力学模型","authors":"Kaleng Jim Chiyen, Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath, ","doi":"10.1021/acs.jced.5c00236","DOIUrl":null,"url":null,"abstract":"<p >This study presents experimental vapor–liquid equilibrium (VLE) data for two fluorinated-based systems. Experimental VLE data for the R116 + propane system at 292.22 and 296.93 K were initially undertaken to validate the experimental setup and procedure. Subsequently, VLE data for the ethane + HFPO system were measured at five isotherms (283.39, 290.32, 298.67, 308.42, and 318.45 K), encompassing three below and two above the critical temperature of ethane, the more volatile component. The measurements were conducted using a static-analytical setup, with equilibrium-phase sampling performed via a capillary sampler and composition analysis carried out using gas chromatography. The uncertainties in the measurements were estimated to be within 0.07 K for temperature, 11 kPa for pressure, and 0.009 and 0.008 mole fractions for the liquid- and vapor-phase compositions, respectively. Thermodynamic modeling of VLE data for the two systems was undertaken using the homogeneous “Φ–Φ” approach, employing the Peng–Robinson equation of state with the Mathias–Copeman alpha function. A combination of the Wong–Sandler mixing rule with the nonrandom two-liquid activity coefficient model was utilized to account for fluid mixture behavior. This modeling approach yielded satisfactory results, as shown by AAD<sub><i>xy</i></sub> and bias<sub><i>xy</i></sub> values of less than 3%.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 8","pages":"3260–3272"},"PeriodicalIF":2.1000,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Experimental VLE Data and Thermodynamic Modeling of the Ethane + Hexafluoropropylene Oxide (HFPO) System\",\"authors\":\"Kaleng Jim Chiyen, Marc Mulamba Tshibangu*, Christophe Coquelet and Deresh Ramjugernath, \",\"doi\":\"10.1021/acs.jced.5c00236\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >This study presents experimental vapor–liquid equilibrium (VLE) data for two fluorinated-based systems. Experimental VLE data for the R116 + propane system at 292.22 and 296.93 K were initially undertaken to validate the experimental setup and procedure. Subsequently, VLE data for the ethane + HFPO system were measured at five isotherms (283.39, 290.32, 298.67, 308.42, and 318.45 K), encompassing three below and two above the critical temperature of ethane, the more volatile component. The measurements were conducted using a static-analytical setup, with equilibrium-phase sampling performed via a capillary sampler and composition analysis carried out using gas chromatography. The uncertainties in the measurements were estimated to be within 0.07 K for temperature, 11 kPa for pressure, and 0.009 and 0.008 mole fractions for the liquid- and vapor-phase compositions, respectively. Thermodynamic modeling of VLE data for the two systems was undertaken using the homogeneous “Φ–Φ” approach, employing the Peng–Robinson equation of state with the Mathias–Copeman alpha function. A combination of the Wong–Sandler mixing rule with the nonrandom two-liquid activity coefficient model was utilized to account for fluid mixture behavior. This modeling approach yielded satisfactory results, as shown by AAD<sub><i>xy</i></sub> and bias<sub><i>xy</i></sub> values of less than 3%.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 8\",\"pages\":\"3260–3272\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-07-24\",\"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.5c00236\",\"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.5c00236","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}
Experimental VLE Data and Thermodynamic Modeling of the Ethane + Hexafluoropropylene Oxide (HFPO) System
This study presents experimental vapor–liquid equilibrium (VLE) data for two fluorinated-based systems. Experimental VLE data for the R116 + propane system at 292.22 and 296.93 K were initially undertaken to validate the experimental setup and procedure. Subsequently, VLE data for the ethane + HFPO system were measured at five isotherms (283.39, 290.32, 298.67, 308.42, and 318.45 K), encompassing three below and two above the critical temperature of ethane, the more volatile component. The measurements were conducted using a static-analytical setup, with equilibrium-phase sampling performed via a capillary sampler and composition analysis carried out using gas chromatography. The uncertainties in the measurements were estimated to be within 0.07 K for temperature, 11 kPa for pressure, and 0.009 and 0.008 mole fractions for the liquid- and vapor-phase compositions, respectively. Thermodynamic modeling of VLE data for the two systems was undertaken using the homogeneous “Φ–Φ” approach, employing the Peng–Robinson equation of state with the Mathias–Copeman alpha function. A combination of the Wong–Sandler mixing rule with the nonrandom two-liquid activity coefficient model was utilized to account for fluid mixture behavior. This modeling approach yielded satisfactory results, as shown by AADxy and biasxy values of less than 3%.
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.