{"title":"Predicting the Surface Tension of Refrigerants from Density Gradient Theory and Perturbed Hard-sphere Equation of State","authors":"M. Sadeghi, S. M. Hosseini, T. Zarei","doi":"10.22036/PCR.2021.284457.1915","DOIUrl":null,"url":null,"abstract":"The surface tensions of pure refrigerants were predicted using a density gradient theory (DGT) coupled with a perturbed hard-sphere equation of state (EoS) approach. The EoS is taken from the Carnahan –Starling hard-sphere equation with the perturbation term of Dohm-Prausnitz (CS-DP EoS), in which the relevant parameters to the molecular size and energies are universal functions of temperature in describing the equilibrium bulk properties. Then DGT+CS-DP EoS model has been employed for predicting the surface tension of 26 pure refrigerants taken from a Chemistry Webbook provided by NIST. Our calculations on the surface tension data from the DGT+CS-DP model led to an average absolute deviation of 4.84%. Then, the degree of accuracy of DGT+CS-DP model has also been compared with other DGT-based model.","PeriodicalId":20084,"journal":{"name":"Physical Chemistry Research","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2021-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physical Chemistry Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.22036/PCR.2021.284457.1915","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
The surface tensions of pure refrigerants were predicted using a density gradient theory (DGT) coupled with a perturbed hard-sphere equation of state (EoS) approach. The EoS is taken from the Carnahan –Starling hard-sphere equation with the perturbation term of Dohm-Prausnitz (CS-DP EoS), in which the relevant parameters to the molecular size and energies are universal functions of temperature in describing the equilibrium bulk properties. Then DGT+CS-DP EoS model has been employed for predicting the surface tension of 26 pure refrigerants taken from a Chemistry Webbook provided by NIST. Our calculations on the surface tension data from the DGT+CS-DP model led to an average absolute deviation of 4.84%. Then, the degree of accuracy of DGT+CS-DP model has also been compared with other DGT-based model.
期刊介绍:
The motivation for this new journal is the tremendous increasing of useful articles in the field of Physical Chemistry and the related subjects in recent years, and the need of communication between Physical Chemists, Physicists and Biophysicists. We attempt to establish this fruitful communication and quick publication. High quality original papers in English dealing with experimental, theoretical and applied research related to physics and chemistry are welcomed. This journal accepts your report for publication as a regular article, review, and Letter. Review articles discussing specific areas of physical chemistry of current chemical or physical importance are also published. Subjects of Interest: Thermodynamics, Statistical Mechanics, Statistical Thermodynamics, Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry of Life Sciences, Surface Chemistry, Catalysis, Physical Chemistry of Electrochemistry, Kinetics, Nanochemistry and Nanophysics, Liquid Crystals, Ionic Liquid, Photochemistry, Experimental article of Physical chemistry. Mathematical Chemistry.