{"title":"用朗道平均场模型计算十四烷+十六烷二元混合物的T - X相图和热力学量","authors":"H. Yurtseven, O. Tari","doi":"10.1080/00319104.2023.2234124","DOIUrl":null,"url":null,"abstract":"ABSTRACT The Landau model is used to calculate the T – X phase diagram and the temperature dependence of the thermodynamic quantities near the phase transitions in the binary mixtures of tetradecane + hexadecane. The phase line equations are fitted to the experimental T – X phase diagram (liquidus + solid solution + solidus) and to the temperature dependence of the enthalpy for the solid (triclinic) solution + solid (rotator) solution from the literature for this binary mixture. By determining the fitted parameters, the thermodynamic quantities are calculated near the phase transitions in the tetradecane + hexadecane. Our T- X phase diagram explains the observed behaviour of the transitions for the binary mixtures studied. On the basis of the experimental enthalpy, calculated thermodynamic quantities exhibit the expected critical behaviour near the phase transitions from the Landau mean field model, which can be compared with the experimental data for tetradecane + hexadecane.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Calculation of the T - X phase diagram and the thermodynamic quantities for the binary mixtures of Tetradecane + Hexadecane using the Landau mean field model\",\"authors\":\"H. Yurtseven, O. Tari\",\"doi\":\"10.1080/00319104.2023.2234124\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"ABSTRACT The Landau model is used to calculate the T – X phase diagram and the temperature dependence of the thermodynamic quantities near the phase transitions in the binary mixtures of tetradecane + hexadecane. The phase line equations are fitted to the experimental T – X phase diagram (liquidus + solid solution + solidus) and to the temperature dependence of the enthalpy for the solid (triclinic) solution + solid (rotator) solution from the literature for this binary mixture. By determining the fitted parameters, the thermodynamic quantities are calculated near the phase transitions in the tetradecane + hexadecane. Our T- X phase diagram explains the observed behaviour of the transitions for the binary mixtures studied. On the basis of the experimental enthalpy, calculated thermodynamic quantities exhibit the expected critical behaviour near the phase transitions from the Landau mean field model, which can be compared with the experimental data for tetradecane + hexadecane.\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2023-07-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1080/00319104.2023.2234124\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1080/00319104.2023.2234124","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Calculation of the T - X phase diagram and the thermodynamic quantities for the binary mixtures of Tetradecane + Hexadecane using the Landau mean field model
ABSTRACT The Landau model is used to calculate the T – X phase diagram and the temperature dependence of the thermodynamic quantities near the phase transitions in the binary mixtures of tetradecane + hexadecane. The phase line equations are fitted to the experimental T – X phase diagram (liquidus + solid solution + solidus) and to the temperature dependence of the enthalpy for the solid (triclinic) solution + solid (rotator) solution from the literature for this binary mixture. By determining the fitted parameters, the thermodynamic quantities are calculated near the phase transitions in the tetradecane + hexadecane. Our T- X phase diagram explains the observed behaviour of the transitions for the binary mixtures studied. On the basis of the experimental enthalpy, calculated thermodynamic quantities exhibit the expected critical behaviour near the phase transitions from the Landau mean field model, which can be compared with the experimental data for tetradecane + hexadecane.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.