{"title":"将 Wong-Sandler 混合规则推广到通用立方状态方程：工业系统（氢气、CCUS、制冷）应用实例","authors":"Salaheddine Chabab , Christophe Coquelet , Fabien Rivollet","doi":"10.1016/j.supflu.2024.106336","DOIUrl":null,"url":null,"abstract":"<div><p>Cubic equations of state (EoS) remain the most widely used models in chemical engineering, and their predictive capabilities are highly dependent on mixing rules (MR). Considered as one of the most accurate, Wong Sandler's (WS) MR, have been generalized in this work, to allow its use with all 2-parameter (PR, SRK, …) and 3-parameter (PT, mPT, NEOS, …) cubic EoSs. The procedure for implementing the generalized WS MR is presented and tested with PR, PT and its variants (mPT and NEOS) on vapor-liquid equilibrium (VLE) and density data on various classes of mixtures for different types of use (hydrogen, CCUS, refrigeration). The results clearly show the benefits of this type of MR, especially around the critical point and for density data without considering volume translation frequently used with PR and SRK EoS.</p></div>","PeriodicalId":17078,"journal":{"name":"Journal of Supercritical Fluids","volume":"212 ","pages":"Article 106336"},"PeriodicalIF":3.4000,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S0896844624001712/pdfft?md5=01c355d4f0c7eb8d95a22c1e8fc9f1b2&pid=1-s2.0-S0896844624001712-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Generalization of the Wong-Sandler mixing rule to a generic cubic equation of state: Examples of use for systems of industrial interest (Hydrogen, CCUS, refrigeration)\",\"authors\":\"Salaheddine Chabab , Christophe Coquelet , Fabien Rivollet\",\"doi\":\"10.1016/j.supflu.2024.106336\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Cubic equations of state (EoS) remain the most widely used models in chemical engineering, and their predictive capabilities are highly dependent on mixing rules (MR). Considered as one of the most accurate, Wong Sandler's (WS) MR, have been generalized in this work, to allow its use with all 2-parameter (PR, SRK, …) and 3-parameter (PT, mPT, NEOS, …) cubic EoSs. The procedure for implementing the generalized WS MR is presented and tested with PR, PT and its variants (mPT and NEOS) on vapor-liquid equilibrium (VLE) and density data on various classes of mixtures for different types of use (hydrogen, CCUS, refrigeration). The results clearly show the benefits of this type of MR, especially around the critical point and for density data without considering volume translation frequently used with PR and SRK EoS.</p></div>\",\"PeriodicalId\":17078,\"journal\":{\"name\":\"Journal of Supercritical Fluids\",\"volume\":\"212 \",\"pages\":\"Article 106336\"},\"PeriodicalIF\":3.4000,\"publicationDate\":\"2024-06-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S0896844624001712/pdfft?md5=01c355d4f0c7eb8d95a22c1e8fc9f1b2&pid=1-s2.0-S0896844624001712-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Supercritical Fluids\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0896844624001712\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Supercritical Fluids","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0896844624001712","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Generalization of the Wong-Sandler mixing rule to a generic cubic equation of state: Examples of use for systems of industrial interest (Hydrogen, CCUS, refrigeration)
Cubic equations of state (EoS) remain the most widely used models in chemical engineering, and their predictive capabilities are highly dependent on mixing rules (MR). Considered as one of the most accurate, Wong Sandler's (WS) MR, have been generalized in this work, to allow its use with all 2-parameter (PR, SRK, …) and 3-parameter (PT, mPT, NEOS, …) cubic EoSs. The procedure for implementing the generalized WS MR is presented and tested with PR, PT and its variants (mPT and NEOS) on vapor-liquid equilibrium (VLE) and density data on various classes of mixtures for different types of use (hydrogen, CCUS, refrigeration). The results clearly show the benefits of this type of MR, especially around the critical point and for density data without considering volume translation frequently used with PR and SRK EoS.
期刊介绍：
The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics.
Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.
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