Maxwell Risseli Laurentino da Silva, Alanderson Arthu Araújo Alves, Lucas Henrique Gomes de Medeiros, Hugo Andersson Dantas Medeiros, Hosiberto Batista de Sant'Ana, Filipe Xavier Feitosa
{"title":"CO2 +十六烷+丁基环己烷体系的高压相平衡和体积性质:实验和模拟研究","authors":"Maxwell Risseli Laurentino da Silva, Alanderson Arthu Araújo Alves, Lucas Henrique Gomes de Medeiros, Hugo Andersson Dantas Medeiros, Hosiberto Batista de Sant'Ana, Filipe Xavier Feitosa","doi":"10.1016/j.jct.2025.107546","DOIUrl":null,"url":null,"abstract":"<div><div>The phase equilibria of two hexadecane + butylcyclohexane mixtures were investigated by adding carbon dioxide, for which no data are available in the literature, using a variable-volume high-pressure view cell. Five isopleths ranging from 13 to 85 mol% carbon dioxide were studied at five different temperature conditions. In addition, high-pressure density data were obtained for three different hexadecane + butylcyclohexane mixtures at five temperatures and pressures up to 100 MPa. The classical Peng-Robinson equation of state (PR EoS) was applied with a fully predictive mixing rule incorporating a temperature-dependent binary interaction parameter (<span><math><mrow><msub><mi>k</mi><mi>ij</mi></msub></mrow></math></span>) to model the experimentally measured phase equilibria. The two ternary mixtures exhibited classical behavior across all global compositions investigated, presenting only simple liquid-vapor equilibrium. The PR EoS approach qualitatively captured the experimental phase behavior of both systems. Moreover, the experimental density data were correlated using the Tammann–Tait equation, and the following thermodynamic derivative properties were calculated: isothermal compressibility (<span><math><mrow><msub><mi>κ</mi><mi>T</mi></msub></mrow></math></span><em>)</em>, isobaric thermal expansivity (<span><math><mrow><msub><mi>α</mi><mi>P</mi></msub><mo>)</mo></mrow></math></span>, thermal pressure coefficient (<span><math><mrow><msub><mi>γ</mi><mi>v</mi></msub></mrow></math></span>), and internal pressure (<span><math><mrow><msub><mi>P</mi><mi>i</mi></msub></mrow></math></span>).</div></div>","PeriodicalId":54867,"journal":{"name":"Journal of Chemical Thermodynamics","volume":"211 ","pages":"Article 107546"},"PeriodicalIF":2.2000,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"High-pressure phase equilibria and volumetric properties of the CO2 + hexadecane + butylcyclohexane system: Experimental and modeling study\",\"authors\":\"Maxwell Risseli Laurentino da Silva, Alanderson Arthu Araújo Alves, Lucas Henrique Gomes de Medeiros, Hugo Andersson Dantas Medeiros, Hosiberto Batista de Sant'Ana, Filipe Xavier Feitosa\",\"doi\":\"10.1016/j.jct.2025.107546\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The phase equilibria of two hexadecane + butylcyclohexane mixtures were investigated by adding carbon dioxide, for which no data are available in the literature, using a variable-volume high-pressure view cell. Five isopleths ranging from 13 to 85 mol% carbon dioxide were studied at five different temperature conditions. In addition, high-pressure density data were obtained for three different hexadecane + butylcyclohexane mixtures at five temperatures and pressures up to 100 MPa. The classical Peng-Robinson equation of state (PR EoS) was applied with a fully predictive mixing rule incorporating a temperature-dependent binary interaction parameter (<span><math><mrow><msub><mi>k</mi><mi>ij</mi></msub></mrow></math></span>) to model the experimentally measured phase equilibria. The two ternary mixtures exhibited classical behavior across all global compositions investigated, presenting only simple liquid-vapor equilibrium. The PR EoS approach qualitatively captured the experimental phase behavior of both systems. Moreover, the experimental density data were correlated using the Tammann–Tait equation, and the following thermodynamic derivative properties were calculated: isothermal compressibility (<span><math><mrow><msub><mi>κ</mi><mi>T</mi></msub></mrow></math></span><em>)</em>, isobaric thermal expansivity (<span><math><mrow><msub><mi>α</mi><mi>P</mi></msub><mo>)</mo></mrow></math></span>, thermal pressure coefficient (<span><math><mrow><msub><mi>γ</mi><mi>v</mi></msub></mrow></math></span>), and internal pressure (<span><math><mrow><msub><mi>P</mi><mi>i</mi></msub></mrow></math></span>).</div></div>\",\"PeriodicalId\":54867,\"journal\":{\"name\":\"Journal of Chemical Thermodynamics\",\"volume\":\"211 \",\"pages\":\"Article 107546\"},\"PeriodicalIF\":2.2000,\"publicationDate\":\"2025-07-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical Thermodynamics\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0021961425001004\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Thermodynamics","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0021961425001004","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
High-pressure phase equilibria and volumetric properties of the CO2 + hexadecane + butylcyclohexane system: Experimental and modeling study
The phase equilibria of two hexadecane + butylcyclohexane mixtures were investigated by adding carbon dioxide, for which no data are available in the literature, using a variable-volume high-pressure view cell. Five isopleths ranging from 13 to 85 mol% carbon dioxide were studied at five different temperature conditions. In addition, high-pressure density data were obtained for three different hexadecane + butylcyclohexane mixtures at five temperatures and pressures up to 100 MPa. The classical Peng-Robinson equation of state (PR EoS) was applied with a fully predictive mixing rule incorporating a temperature-dependent binary interaction parameter () to model the experimentally measured phase equilibria. The two ternary mixtures exhibited classical behavior across all global compositions investigated, presenting only simple liquid-vapor equilibrium. The PR EoS approach qualitatively captured the experimental phase behavior of both systems. Moreover, the experimental density data were correlated using the Tammann–Tait equation, and the following thermodynamic derivative properties were calculated: isothermal compressibility (), isobaric thermal expansivity (, thermal pressure coefficient (), and internal pressure ().
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