Theoretical Study of Amorphous Ice with Very High Methane Capacity

Theoretical Study of Amorphous Ice with Very High Methane Capacity Full article

Journal

Energy & Fuels
ISSN: 1520-5029 , E-ISSN: 0887-0624

Output data

Year: 2026, Volume: 40, Number: 41, Pages: 22782-22790 Pages count : 9 DOI: 10.1021/acs.energyfuels.6c03995

Authors

Gets Kirill V. ^1,2 , Zhdanov Ravil K. ^1,2 , Bozhko Yulia Yu. ^1,2 , Li Xingxun ³ , Chen Guangjin ³ , Belosludov Vladimir R. ^1,2

Affiliations

1	Nikolaev Institute of Inorganic Chemistry SB RAS
2	Novosibirsk State University
3	China University of Petroleum-Beijing

Funding (1)

This work presents amorphous solid water structures containing exceptionally large amounts of methane, which could be used as a theoretical basis for a new methane storage method. Based on molecular dynamics and lattice dynamics methods, this study has demonstrated the stability of these structures over a wide range of thermodynamic parameters. Structural features have been investigated by calculating the number of hydrogen bonds and order parameters. The work shows the temperature dependencies of structural, dynamic, and energy characteristics at different methane contents. These characteristics, as well as the diffusion coefficient and methane content, have been compared with those of gas hydrates. The work demonstrates the possibility of storing up to 20−40 wt % of methane depending on the temperature.

Gets K.V. , Zhdanov R.K. , Bozhko Y.Y. , Li X. , Chen G. , Belosludov V.R.
Theoretical Study of Amorphous Ice with Very High Methane Capacity
Energy & Fuels. 2026. V.40. N41. P.22782-22790. DOI: 10.1021/acs.energyfuels.6c03995 WOS Scopus OpenAlex

Submitted:	Jul 24, 2026
Published print:	Oct 15, 2026

≡ Web of science:	WOS:001896732400001
≡ Scopus:	2-s2.0-105053907346
≡ OpenAlex:	W7220867190