{"title":"包括分子相关性在内的球形液体薄膜和蒸汽层中的分离压力","authors":"A. K. Shchekin, L. A. Gosteva","doi":"10.1134/S0012501623600092","DOIUrl":null,"url":null,"abstract":"<p>Disjoining pressures in thin liquid films around nanosized wettable spherical particles and in thin vapor layers around non-wettable particles were calculated as functions of the lyophility degree, film thickness, and particle size on the basis of the expression for the grand thermodynamic potential as a molecular density functional. A characteristic feature of this approach is the full consideration of hard-sphere molecular correlations using the fundamental measure theory in the density functional theory (DFT) and calculation of the complete dependence of the grand thermodynamic potential of the system on the stable droplet or bubble size. Although the newly calculated dependences of the disjoining pressure are in a qualitative agreement with those found using a simpler gradient version of the molecular density functional, the results of the two methods considerably differ quantitatively. It was confirmed that the disjoining pressure in a liquid film around a nanosized lyophilic particle increases with increasing particle size and lyophilicity.</p>","PeriodicalId":532,"journal":{"name":"Doklady Physical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.1000,"publicationDate":"2023-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Disjoining Pressure in Thin Spherical Liquid Films and Vapor Layers with Molecular Correlations Included\",\"authors\":\"A. K. Shchekin, L. A. Gosteva\",\"doi\":\"10.1134/S0012501623600092\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Disjoining pressures in thin liquid films around nanosized wettable spherical particles and in thin vapor layers around non-wettable particles were calculated as functions of the lyophility degree, film thickness, and particle size on the basis of the expression for the grand thermodynamic potential as a molecular density functional. A characteristic feature of this approach is the full consideration of hard-sphere molecular correlations using the fundamental measure theory in the density functional theory (DFT) and calculation of the complete dependence of the grand thermodynamic potential of the system on the stable droplet or bubble size. Although the newly calculated dependences of the disjoining pressure are in a qualitative agreement with those found using a simpler gradient version of the molecular density functional, the results of the two methods considerably differ quantitatively. It was confirmed that the disjoining pressure in a liquid film around a nanosized lyophilic particle increases with increasing particle size and lyophilicity.</p>\",\"PeriodicalId\":532,\"journal\":{\"name\":\"Doklady Physical Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.1000,\"publicationDate\":\"2023-06-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Doklady Physical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S0012501623600092\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Doklady Physical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0012501623600092","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Disjoining Pressure in Thin Spherical Liquid Films and Vapor Layers with Molecular Correlations Included
Disjoining pressures in thin liquid films around nanosized wettable spherical particles and in thin vapor layers around non-wettable particles were calculated as functions of the lyophility degree, film thickness, and particle size on the basis of the expression for the grand thermodynamic potential as a molecular density functional. A characteristic feature of this approach is the full consideration of hard-sphere molecular correlations using the fundamental measure theory in the density functional theory (DFT) and calculation of the complete dependence of the grand thermodynamic potential of the system on the stable droplet or bubble size. Although the newly calculated dependences of the disjoining pressure are in a qualitative agreement with those found using a simpler gradient version of the molecular density functional, the results of the two methods considerably differ quantitatively. It was confirmed that the disjoining pressure in a liquid film around a nanosized lyophilic particle increases with increasing particle size and lyophilicity.
期刊介绍:
Doklady Physical Chemistry is a monthly journal containing English translations of current Russian research in physical chemistry from the Physical Chemistry sections of the Doklady Akademii Nauk (Proceedings of the Russian Academy of Sciences). The journal publishes the most significant new research in physical chemistry being done in Russia, thus ensuring its scientific priority. Doklady Physical Chemistry presents short preliminary accounts of the application of the state-of-the-art physical chemistry ideas and methods to the study of organic and inorganic compounds and macromolecules; polymeric, inorganic and composite materials as well as corresponding processes. The journal is intended for scientists in all fields of chemistry and in interdisciplinary sciences.