Molecular Simulation of Water Structure in Narrow Slitlike Pores

IF 1.4 4区化学 Q4 CHEMISTRY, PHYSICAL

Colloid Journal Pub Date : 2023-10-04 DOI:10.1134/S1061933X23600525

Yu. D. Fomin, E. N. Tsiok, S. A. Bobkov, V. N. Ryzhov

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.

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窄缝状孔隙中水结构的分子模拟

用分子动力学模拟方法研究了水在窄缝状孔隙中的结构。已经考虑到孔隙间距离为6.2–15.5Å。在二维和三维有序参数的基础上，阐明了冷却到T=300K时自发结晶产生的水结构。已经表明，观察到的结构可以描述为FCC或HCP晶体的截面。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Colloid Journal 化学-物理化学

CiteScore

2.20

自引率

18.20%

发文量

审稿时长

6-12 weeks

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.