Molecular Simulation of Water Structure in Narrow Slitlike Pores

YD Fomin and EN Tsiok and SA Bobkov and VN Ryzhov, COLLOID JOURNAL, 85, 605-628 (2023).

DOI: 10.1134/S1061933X23600525

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 angstrom 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. GRAPHICS .

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