Mohammad Niksirat, Fatemeh Aeenjan, Mohammad Mahdavi Nik, Shahin Khosharay
{"title":"(单乙醇胺+水)混合物表面张力的模拟:状态方程、缔合方案和交联能的作用","authors":"Mohammad Niksirat, Fatemeh Aeenjan, Mohammad Mahdavi Nik, Shahin Khosharay","doi":"10.1007/s10765-025-03613-6","DOIUrl":null,"url":null,"abstract":"<div><p>The gradient theory of the interface is combined with the cubic plus association and perturbed chain statistical association fluid theory equations of state to estimate the surface tension of (monoethanolamine + water) system for the first time. For each equation of state, three cases of association scheme and two forms of influence parameters have been used. Two forms of influence parameters are also applied to the gradient theory. The second form contains two exponents that lead to the accuracy of surface tension estimations, especially at low mole fractions of monoethanolamine. The highest and lowest AADs% of surface tension are 5.24 and 1.11, respectively. The interfacial density profiles show the enrichment of the surface layer with monoethanolamine. However, the enrichment of the surface layer does not exist at high concentrations of monoethanolamine in the mixture. The overall AADs% of the present model confirm its reliability for description of (monoethanolamine + water) interface.</p></div>","PeriodicalId":598,"journal":{"name":"International Journal of Thermophysics","volume":"46 9","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Modeling Surface Tension of (Monoethanolamine+Water) Mixture: The Role of Equation of State, Association Scheme and Cross Association Energy\",\"authors\":\"Mohammad Niksirat, Fatemeh Aeenjan, Mohammad Mahdavi Nik, Shahin Khosharay\",\"doi\":\"10.1007/s10765-025-03613-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The gradient theory of the interface is combined with the cubic plus association and perturbed chain statistical association fluid theory equations of state to estimate the surface tension of (monoethanolamine + water) system for the first time. For each equation of state, three cases of association scheme and two forms of influence parameters have been used. Two forms of influence parameters are also applied to the gradient theory. The second form contains two exponents that lead to the accuracy of surface tension estimations, especially at low mole fractions of monoethanolamine. The highest and lowest AADs% of surface tension are 5.24 and 1.11, respectively. The interfacial density profiles show the enrichment of the surface layer with monoethanolamine. However, the enrichment of the surface layer does not exist at high concentrations of monoethanolamine in the mixture. The overall AADs% of the present model confirm its reliability for description of (monoethanolamine + water) interface.</p></div>\",\"PeriodicalId\":598,\"journal\":{\"name\":\"International Journal of Thermophysics\",\"volume\":\"46 9\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-07-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Thermophysics\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10765-025-03613-6\",\"RegionNum\":4,\"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":"International Journal of Thermophysics","FirstCategoryId":"5","ListUrlMain":"https://link.springer.com/article/10.1007/s10765-025-03613-6","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Modeling Surface Tension of (Monoethanolamine+Water) Mixture: The Role of Equation of State, Association Scheme and Cross Association Energy
The gradient theory of the interface is combined with the cubic plus association and perturbed chain statistical association fluid theory equations of state to estimate the surface tension of (monoethanolamine + water) system for the first time. For each equation of state, three cases of association scheme and two forms of influence parameters have been used. Two forms of influence parameters are also applied to the gradient theory. The second form contains two exponents that lead to the accuracy of surface tension estimations, especially at low mole fractions of monoethanolamine. The highest and lowest AADs% of surface tension are 5.24 and 1.11, respectively. The interfacial density profiles show the enrichment of the surface layer with monoethanolamine. However, the enrichment of the surface layer does not exist at high concentrations of monoethanolamine in the mixture. The overall AADs% of the present model confirm its reliability for description of (monoethanolamine + water) interface.
期刊介绍:
International Journal of Thermophysics serves as an international medium for the publication of papers in thermophysics, assisting both generators and users of thermophysical properties data. This distinguished journal publishes both experimental and theoretical papers on thermophysical properties of matter in the liquid, gaseous, and solid states (including soft matter, biofluids, and nano- and bio-materials), on instrumentation and techniques leading to their measurement, and on computer studies of model and related systems. Studies in all ranges of temperature, pressure, wavelength, and other relevant variables are included.