Sergiu Sima, Catinca Secuianu* and Dan Vladimir Nichita*,
{"title":"CO2 + C6 二元体系的流相平衡实验与建模","authors":"Sergiu Sima, Catinca Secuianu* and Dan Vladimir Nichita*, ","doi":"10.1021/acs.jced.4c0042210.1021/acs.jced.4c00422","DOIUrl":null,"url":null,"abstract":"<p >The phase behavior of the carbon dioxide and <i>n</i>-hexane binary mixture was examined. The entire available literature was reviewed and analyzed. Despite the apparent abundance of experimental data, both vapor–liquid equilibrium (VLE) and critical data, there is a high degree of discrepancy between them. Therefore, the liquid–vapor critical line was determined up to 117.0 bar and 383.15 K, as well as VLE data at different constant temperatures (313.15 to 383.15 K) using a 60 cm<sup>3</sup> stainless-steel cell with sapphire windows connected to a gas chromatograph via rapid online sample injectors─ROLSI valves for accurate composition detection. The new and literature data were successfully calculated with several models (General Equation of state─GEOS, Peng–Robinson─PR, and Soave–Redlich–Kwong─SRK), in association with classical van der Waals mixing rules, i.e., one- (1PCMR) and two-parameter conventional (2PCMR) combining rules, as well as the PPR78 model. We also studied the influence of the structure of organic compounds (<i>n</i>-alkane, cycloalkane, and branched alkane-position isomers) with the same number of carbon atoms on the phase behavior of their corresponding binary systems at high pressures.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Fluid-Phase Equilibrium Experiments and Modeling for CO2 + C6 Binary Systems\",\"authors\":\"Sergiu Sima, Catinca Secuianu* and Dan Vladimir Nichita*, \",\"doi\":\"10.1021/acs.jced.4c0042210.1021/acs.jced.4c00422\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The phase behavior of the carbon dioxide and <i>n</i>-hexane binary mixture was examined. The entire available literature was reviewed and analyzed. Despite the apparent abundance of experimental data, both vapor–liquid equilibrium (VLE) and critical data, there is a high degree of discrepancy between them. Therefore, the liquid–vapor critical line was determined up to 117.0 bar and 383.15 K, as well as VLE data at different constant temperatures (313.15 to 383.15 K) using a 60 cm<sup>3</sup> stainless-steel cell with sapphire windows connected to a gas chromatograph via rapid online sample injectors─ROLSI valves for accurate composition detection. The new and literature data were successfully calculated with several models (General Equation of state─GEOS, Peng–Robinson─PR, and Soave–Redlich–Kwong─SRK), in association with classical van der Waals mixing rules, i.e., one- (1PCMR) and two-parameter conventional (2PCMR) combining rules, as well as the PPR78 model. We also studied the influence of the structure of organic compounds (<i>n</i>-alkane, cycloalkane, and branched alkane-position isomers) with the same number of carbon atoms on the phase behavior of their corresponding binary systems at high pressures.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-09-27\",\"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.4c00422\",\"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.4c00422","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}
Fluid-Phase Equilibrium Experiments and Modeling for CO2 + C6 Binary Systems
The phase behavior of the carbon dioxide and n-hexane binary mixture was examined. The entire available literature was reviewed and analyzed. Despite the apparent abundance of experimental data, both vapor–liquid equilibrium (VLE) and critical data, there is a high degree of discrepancy between them. Therefore, the liquid–vapor critical line was determined up to 117.0 bar and 383.15 K, as well as VLE data at different constant temperatures (313.15 to 383.15 K) using a 60 cm3 stainless-steel cell with sapphire windows connected to a gas chromatograph via rapid online sample injectors─ROLSI valves for accurate composition detection. The new and literature data were successfully calculated with several models (General Equation of state─GEOS, Peng–Robinson─PR, and Soave–Redlich–Kwong─SRK), in association with classical van der Waals mixing rules, i.e., one- (1PCMR) and two-parameter conventional (2PCMR) combining rules, as well as the PPR78 model. We also studied the influence of the structure of organic compounds (n-alkane, cycloalkane, and branched alkane-position isomers) with the same number of carbon atoms on the phase behavior of their corresponding binary systems at high pressures.
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.