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

Abstract

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 $\rho =0.5$ 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.

GRAPHICAL ABSTRACT

Keywords:

• Density anomaly
• confined liquid
• molecular simulation

PACS numbers:

• 61.20.Gy
• 61.20.Ne
• 64.60.Kw

Acknowledgments

This work was carried out using computing resources of the federal collective usage center ‘Complex for simulation and data processing for mega-science facilities’ at NRC ‘Kurchatov Institute’, http://ckp.nrcki.ru, and supercomputers at Joint Supercomputer Center of the Russian Academy of Sciences (JSCC RAS).

Disclosure statement

No potential conflict of interest was reported by the author(s).

Additional information

Funding

The work was supported by the Russian Science Foundation [grant number 19-12-00092].