{"title":"Investigation of contribution of the intermolecular potential attraction term in surface tension of refrigerant fluids","authors":"Reza Khordad","doi":"10.1016/j.fluid.2025.114408","DOIUrl":null,"url":null,"abstract":"<div><div>Theoretical prediction of thermophysical properties of refrigerant fluids using different intermolecular potential models is an attractive challenge in condensed matter physics. For this purpose, in this work, both refrigerant fluids including pure and binary mixtures are considered and their surface tension (<span><math><mi>γ</mi></math></span>) has been theoretically calculated. To obtain the surface tension of refrigerant fluids, three potential models are proposed. The potentials have the same repulsive parts and different attractive terms. The Ornstein-Zernike (OZ) integral equation by the hypernetted chain (HNC) closure is employed to find the pair correlation functions. The OZ equation is numerically solved by expansion of the correlation functions and HC closure in terms of angular functions in Fourier space. After obtaining the radial distribution function for any potential, the surface tension has been computed. The surface tension of each refrigerant fluid is calculated by three potential models. Our obtained theoretical results are compared with the experimental available data. The findings show that for each refrigerant fluid, one of the potential models show better agreement in comparing with experimental results. It means that the attractive term is one of the influencing factors in predicting the surface tension of refrigerant fluids. For pure refrigerant fluids, the best results obtained for R32 with ADD<span><math><mrow><mo>∼</mo><mi>░</mi><mo>%</mo><mn>0.9</mn></mrow></math></span>. The best result is obtained for the mixture of R32+R1234yf with ADD<span><math><mrow><mo>∼</mo><mi>░</mi><mo>%</mo><mn>1.2</mn></mrow></math></span>.</div></div>","PeriodicalId":12170,"journal":{"name":"Fluid Phase Equilibria","volume":"595 ","pages":"Article 114408"},"PeriodicalIF":2.8000,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Fluid Phase Equilibria","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0378381225000780","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}
引用次数: 0
Abstract
Theoretical prediction of thermophysical properties of refrigerant fluids using different intermolecular potential models is an attractive challenge in condensed matter physics. For this purpose, in this work, both refrigerant fluids including pure and binary mixtures are considered and their surface tension () has been theoretically calculated. To obtain the surface tension of refrigerant fluids, three potential models are proposed. The potentials have the same repulsive parts and different attractive terms. The Ornstein-Zernike (OZ) integral equation by the hypernetted chain (HNC) closure is employed to find the pair correlation functions. The OZ equation is numerically solved by expansion of the correlation functions and HC closure in terms of angular functions in Fourier space. After obtaining the radial distribution function for any potential, the surface tension has been computed. The surface tension of each refrigerant fluid is calculated by three potential models. Our obtained theoretical results are compared with the experimental available data. The findings show that for each refrigerant fluid, one of the potential models show better agreement in comparing with experimental results. It means that the attractive term is one of the influencing factors in predicting the surface tension of refrigerant fluids. For pure refrigerant fluids, the best results obtained for R32 with ADD. The best result is obtained for the mixture of R32+R1234yf with ADD.
期刊介绍:
Fluid Phase Equilibria publishes high-quality papers dealing with experimental, theoretical, and applied research related to equilibrium and transport properties of fluids, solids, and interfaces. Subjects of interest include physical/phase and chemical equilibria; equilibrium and nonequilibrium thermophysical properties; fundamental thermodynamic relations; and stability. The systems central to the journal include pure substances and mixtures of organic and inorganic materials, including polymers, biochemicals, and surfactants with sufficient characterization of composition and purity for the results to be reproduced. Alloys are of interest only when thermodynamic studies are included, purely material studies will not be considered. In all cases, authors are expected to provide physical or chemical interpretations of the results.
Experimental research can include measurements under all conditions of temperature, pressure, and composition, including critical and supercritical. Measurements are to be associated with systems and conditions of fundamental or applied interest, and may not be only a collection of routine data, such as physical property or solubility measurements at limited pressures and temperatures close to ambient, or surfactant studies focussed strictly on micellisation or micelle structure. Papers reporting common data must be accompanied by new physical insights and/or contemporary or new theory or techniques.