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Journal of Structural Chemistry

2013 year, number Приложение 2


G. G. Malenkov
A. N. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow
Keywords: water, liquid argon, structure, molecular dynamics


Computer simulation of liquid argon and water has shown that the structural inhomogeneity pattern visualized by coloring their instantaneous structures according to the volumes of the Voronoi polyhedra is the same for both liquids. The dynamics of argon atoms in the cavity of a clathrate hydrate and in liquid water is considered. The argon atoms included in the network of hydrogen bonds in liquid water are involved in concerted motion. As a result of this concerted motion, the distance between two argon atoms can fluctuate around some value for a fairly long time. The environment of argon atoms in a liquid aqueous solution differs significantly from their environment in clathrate hydrates.