Faculty of Physics
M.V.Lomonosov Moscow State University
Menu
Regular Article

Investigation of structural evolution of hydrogen-bond networks of water clusters at 1 and 300 K

A.V. Khakhalin$^{1,2}$, A.V. Koroleva$^1$, V.T. Shalabaeva$^1$, Ya.N. Shirshov$^1$

Moscow University Physics Bulletin 2012. 67. N 4. P. 364

  • Article
Annotation

Computer simulation of water clusters (H$_2$O)$_n$, Na$^{+}$(H$_2$O)$_n$ and K$^{+}$(H$_2$O)$_n$ (${n\le8}$) at temperatures of 1 and 300 K was carried out using the Monte Carlo method. All the types of the hydrogen-bond network structures at equilibrium configurations of the water clusters and, among them, the most probable ones at temperatures of 1 and 300 K, were detected. The analysis of the most probable types of hydrogen-bond networks at equilibrium configurations of water clusters revealed that clusters with $n$ water molecules inherit the configuration of clusters with ${n-1}$ water molecules with an accuracy of one hydrogen bond.

Received: 2012 March 4
Approved: 2024 March 18
PACS:
61.20.Ja Computer simulation of liquid structure
Authors
A.V. Khakhalin$^{1,2}$, A.V. Koroleva$^1$, V.T. Shalabaeva$^1$, Ya.N. Shirshov$^1$
$^1$Faculty of Physics, Moscow State University, Moscow, 119991, Russia
$^2$Institute of Microelectronics Nanotechnologies, Russian Academy of Sciences, Leninskii pr., 32A, Moscow, 119991, Russia
Issue 4, 2012

Moscow University Physics Bulletin

Science News of the Faculty of Physics, Lomonosov Moscow State University

This new information publication, which is intended to convey to the staff, students and graduate students, faculty colleagues and partners of the main achievements of scientists and scientific information on the events in the life of university physicists.