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JOURNALS // University proceedings. Volga region. Physical and mathematical sciences // Archive

University proceedings. Volga region. Physical and mathematical sciences, 2025 Issue 2, Pages 104–115 (Mi ivpnz838)

Physics

Features of determining the parameters of the cubic crystal lattice of clathrate hydrates

N. A. Shostak

Kuban State Technological University, Krasnodar

Abstract: Background. The features of determining the parameters of the cubic crystal lattice of clathrate hydrates are considered. Many properties of clathrate hydrates are similar to hexagonal ice, however, the interaction of absorbed molecules with the ice-like crystal lattice has its own characteristics. Materials and methods. The main method used in the work is to obtain the parameters of the functional dependence using the least squares method. A polynomial approach to a unified description is proposed in view of the complex nature of the motion of guest molecules with their numerous degrees of freedom and various degrees of coupling of this motion with the host lattice. Results. It is proposed to use the obtained ratio depending on the system temperature and the type of hydrate former. Average discrepancies according to the proposed method for hydrate formers in temperature ranges from 10 to 280 K are 0.04$\%$ and do not exceed 0.09$\%$. Conclusions. The developed approach allows to obtain more accurate results in a wide range of conditions.

Keywords: hydrate former, hydrate formation, hydrate structure, coefficient of thermal expansion, crystal lattice, crystal lattice parameter

UDC: 538.911:548.562

DOI: 10.21685/2072-3040-2025-2-8



© Steklov Math. Inst. of RAS, 2026