{"title":"丙烯腈和己二腈在7.0、12.0、17.0和22.0 kPa下的等压汽液平衡（VLE）","authors":"Yanyu Wei*, and , Yonghong Li, ","doi":"10.1021/acs.jced.4c0054510.1021/acs.jced.4c00545","DOIUrl":null,"url":null,"abstract":"<p >Isobaric vapor–liquid equilibrium (VLE) data for binary mixtures of acrylonitrile and adiponitrile were measured using a modified Rose–Williams still at temperatures ranging from 283.4 to 506.8 K and pressures of 7.0, 12.0, 17.0, and 22.0 kPa. The consistency of the VLE data was evaluated using the methods proposed by Wisniak and Fredenslund. Five activity coefficient models (Margules, van Laar, NRTL, Wilson, and UNIQUAC) were employed to correlate the VLE data, estimate binary interaction parameters, and calculate the excess Gibbs free energy of the mixtures. The regression results were assessed using the root-mean-square error for temperature (RMST) and the root-mean-square error for vapor phase mole fraction (RMS<i>y</i><sub>1</sub>). The Margules and van Laar models exhibited higher temperature and vapor phase fraction deviations, whereas the Wilson, NRTL, and UNIQUAC models performed better. Among all models tested, the NRTL model demonstrated the highest predictive accuracy, with RMST and RMS<i>y</i><sub>1</sub> values below 0.04 and 0.0005, respectively.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 2","pages":"984–992 984–992"},"PeriodicalIF":2.0000,"publicationDate":"2025-01-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Isobaric Vapor–Liquid Equilibrium (VLE) of Acrylonitrile and Adiponitrile at 7.0, 12.0, 17.0, and 22.0 kPa\",\"authors\":\"Yanyu Wei*, and , Yonghong Li, \",\"doi\":\"10.1021/acs.jced.4c0054510.1021/acs.jced.4c00545\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Isobaric vapor–liquid equilibrium (VLE) data for binary mixtures of acrylonitrile and adiponitrile were measured using a modified Rose–Williams still at temperatures ranging from 283.4 to 506.8 K and pressures of 7.0, 12.0, 17.0, and 22.0 kPa. The consistency of the VLE data was evaluated using the methods proposed by Wisniak and Fredenslund. Five activity coefficient models (Margules, van Laar, NRTL, Wilson, and UNIQUAC) were employed to correlate the VLE data, estimate binary interaction parameters, and calculate the excess Gibbs free energy of the mixtures. The regression results were assessed using the root-mean-square error for temperature (RMST) and the root-mean-square error for vapor phase mole fraction (RMS<i>y</i><sub>1</sub>). The Margules and van Laar models exhibited higher temperature and vapor phase fraction deviations, whereas the Wilson, NRTL, and UNIQUAC models performed better. Among all models tested, the NRTL model demonstrated the highest predictive accuracy, with RMST and RMS<i>y</i><sub>1</sub> values below 0.04 and 0.0005, respectively.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 2\",\"pages\":\"984–992 984–992\"},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2025-01-18\",\"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.4c00545\",\"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.4c00545","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}
Isobaric Vapor–Liquid Equilibrium (VLE) of Acrylonitrile and Adiponitrile at 7.0, 12.0, 17.0, and 22.0 kPa
Isobaric vapor–liquid equilibrium (VLE) data for binary mixtures of acrylonitrile and adiponitrile were measured using a modified Rose–Williams still at temperatures ranging from 283.4 to 506.8 K and pressures of 7.0, 12.0, 17.0, and 22.0 kPa. The consistency of the VLE data was evaluated using the methods proposed by Wisniak and Fredenslund. Five activity coefficient models (Margules, van Laar, NRTL, Wilson, and UNIQUAC) were employed to correlate the VLE data, estimate binary interaction parameters, and calculate the excess Gibbs free energy of the mixtures. The regression results were assessed using the root-mean-square error for temperature (RMST) and the root-mean-square error for vapor phase mole fraction (RMSy1). The Margules and van Laar models exhibited higher temperature and vapor phase fraction deviations, whereas the Wilson, NRTL, and UNIQUAC models performed better. Among all models tested, the NRTL model demonstrated the highest predictive accuracy, with RMST and RMSy1 values below 0.04 and 0.0005, respectively.
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.
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