Theoretical Study of Amorphous Ice with Very High Methane Capacity

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Theoretical Study of Amorphous Ice with Very High Methane Capacity. / Gets, Kirill V.; Zhdanov, Ravil K.; Bozhko, Yulia Yu et al.

In: Energy and Fuels, Vol. 40, No. 41, 2026, p. 22782-22790.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{e55b5f7e24f54d14af1bd59e8f6b4e37,

title = "Theoretical Study of Amorphous Ice with Very High Methane Capacity",

abstract = "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.",

author = "Gets, {Kirill V.} and Zhdanov, {Ravil K.} and Bozhko, {Yulia Yu} and Xingxun Li and Guangjin Chen and Belosludov, {Vladimir R.}",

year = "2026",

doi = "10.1021/acs.energyfuels.6c03995",

language = "English",

volume = "40",

pages = "22782--22790",

journal = "Energy & Fuels",

issn = "0887-0624",

publisher = "ACS Publication",

number = "41",

}

RIS

TY - JOUR

T1 - Theoretical Study of Amorphous Ice with Very High Methane Capacity

AU - Gets, Kirill V.

AU - Zhdanov, Ravil K.

AU - Bozhko, Yulia Yu

AU - Li, Xingxun

AU - Chen, Guangjin

AU - Belosludov, Vladimir R.

PY - 2026

Y1 - 2026

N2 - 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.

AB - 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.

UR - https://www.mendeley.com/catalogue/2c5bf8c2-1831-32f5-8b55-472cf01a034f/

UR - https://www.scopus.com/pages/publications/105053907346

U2 - 10.1021/acs.energyfuels.6c03995

DO - 10.1021/acs.energyfuels.6c03995

M3 - Article

VL - 40

SP - 22782

EP - 22790

JO - Energy & Fuels

JF - Energy & Fuels

SN - 0887-0624

IS - 41

ER -

ID: 85047653