Interplay between freezing and density anomaly in a confined core-softened fluid

• Published in: Molecular physics Vol. 118; no. 15; p. e1718792
• Main Authors: Fomin, Yu. D., Ryzhov, V. N., Tsiok, E. N.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 02-08-2020; Taylor & Francis Ltd
• Subjects: 61.20.Gy; 61.20.Ne; 64.60.Kw; Computer simulation; confined liquid; Crystallization; Density; Density anomaly; Freezing; molecular simulation
• ISSN: 0026-8976; 1362-3028
• DOI: 10.1080/00268976.2020.1718792

We present a computer simulation study of the influence of the confinement on the density anomaly in the fluid with isotropic core-softened potential which is used for a qualitative description of the anomalous behavior of water and some other liquids. We have found that a maximum temperature of the density anomaly region along an isochor
does not depend on the pore width. We have shown that a decrease in the width of the confining slit pore leads to an increase in the crystallization temperature while the temperature of the density anomaly remains constant. Because of this, the temperature range of the density anomaly becomes less and will disappear under the crystallization line in the pores of a very small width.