MOLECULAR SIMULATION OF WATER STRUCTURE IN NARROW SLITLIKE PORES

• DOI: 10.31857/s0023291223600360
• Publication Date: 2024-04-18T13:18:01Z
• Authors: YU. D. FOMIN; E. N. TSIOK; S. A. BOBKOV; V. N. RYZHOV
• Keywords: 0103 physical sciences; 01 natural sciences

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 twoand three-dimensional order parameters. It has been shown that the observed structures can be described as sections of FCC or HCP crystals.