Yu. D. Fomin, E. N. Tsiok, S. A. Bobkov, V. N. Ryzhov
{"title":"Molecular Simulation of Water Structure in Narrow Slitlike Pores","authors":"Yu. D. Fomin, E. N. Tsiok, S. A. Bobkov, V. N. Ryzhov","doi":"10.1134/S1061933X23600525","DOIUrl":null,"url":null,"abstract":"<p>The structure of water in narrow slitlike pores has been studied by the methods of molecular dynamics simulation. Pores with interwall distances of 6.2–15.5 Å have been considered. Water structures resulting from spontaneous crystallization upon cooling to <i>T</i> = 300 K have been clarified on the basis of two- and three-dimensional order parameters. It has been shown that the observed structures can be described as sections of FCC or HCP crystals.</p>","PeriodicalId":521,"journal":{"name":"Colloid Journal","volume":null,"pages":null},"PeriodicalIF":1.4000,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Colloid Journal","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S1061933X23600525","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The structure of water in narrow slitlike pores has been studied by the methods of molecular dynamics simulation. Pores with interwall distances of 6.2–15.5 Å have been considered. Water structures resulting from spontaneous crystallization upon cooling to T = 300 K have been clarified on the basis of two- and three-dimensional order parameters. It has been shown that the observed structures can be described as sections of FCC or HCP crystals.
期刊介绍:
Colloid Journal (Kolloidnyi Zhurnal) is the only journal in Russia that publishes the results of research in the area of chemical science dealing with the disperse state of matter and surface phenomena in disperse systems. The journal covers experimental and theoretical works on a great variety of colloid and surface phenomena: the structure and properties of interfaces; adsorption phenomena and structure of adsorption layers of surfactants; capillary phenomena; wetting films; wetting and spreading; and detergency. The formation of colloid systems, their molecular-kinetic and optical properties, surface forces, interaction of colloidal particles, stabilization, and criteria of stability loss of different disperse systems (lyosols and aerosols, suspensions, emulsions, foams, and micellar systems) are also topics of the journal. Colloid Journal also includes the phenomena of electro- and diffusiophoresis, electro- and thermoosmosis, and capillary and reverse osmosis, i.e., phenomena dealing with the existence of diffusion layers of molecules and ions in the vicinity of the interface.