Standard

Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods. / Bozhko, Yu Yu; Gets, K. V.; Subbotin, O. S. et al.

In: Journal of Physics: Conference Series, Vol. 1359, No. 1, 012055, 21.11.2019.

Research output: Contribution to journal › Conference article › peer-review

Harvard

Bozhko, YY, Gets, KV, Subbotin, OS & Belosludov, VR 2019, 'Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods', Journal of Physics: Conference Series, vol. 1359, no. 1, 012055. https://doi.org/10.1088/1742-6596/1359/1/012055

APA

Bozhko, Y. Y., Gets, K. V., Subbotin, O. S., & Belosludov, V. R. (2019). Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods. Journal of Physics: Conference Series, 1359(1), [012055]. https://doi.org/10.1088/1742-6596/1359/1/012055

Vancouver

Bozhko YY, Gets KV, Subbotin OS, Belosludov VR. Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods. Journal of Physics: Conference Series. 2019 Nov 21;1359(1):012055. doi: 10.1088/1742-6596/1359/1/012055

Author

Bozhko, Yu Yu ; Gets, K. V. ; Subbotin, O. S. et al. / Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods. In: Journal of Physics: Conference Series. 2019 ; Vol. 1359, No. 1.

BibTeX

@article{58d8cbf5f3474a92a6b689be158f60b6,
title = "Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods",
abstract = "Ozone is a very effective medical, industrial and agricultural disinfector, bleacher and deodorizer. Ozone acts very quickly, but its decay rate is also high. Gas hydrate formation is a promising method for storing ozone and ozone-containing gas mixtures. We use molecular dynamics (conjugate gradient) and lattice dynamics method to calculate the free energy double O3+CO2 hydrate of cubic structure I at 270 K and 275 K temperatures and various gas phase compositions. It allowed determining the chemical potential of water molecules depending on pressure at given temperatures and compositions. Comparison with Ih ice and liquid water allowed us to determine regions of O3+CO2 double hydrate stability. The presented results may be useful in studies of thermodynamic stability areas of hydrates obtained from pure ozone (e.g. liquid ozone), its mixtures and in the development of corresponding storage technologies.",
keywords = "STORAGE CAPACITY, O-3",
author = "Bozhko, {Yu Yu} and Gets, {K. V.} and Subbotin, {O. S.} and Belosludov, {V. R.}",
year = "2019",
month = nov,
day = "21",
doi = "10.1088/1742-6596/1359/1/012055",
language = "English",
volume = "1359",
journal = "Journal of Physics: Conference Series",
issn = "1742-6588",
publisher = "IOP Publishing Ltd.",
number = "1",
note = "4th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2019 ; Conference date: 15-09-2019 Through 22-09-2019",

}

RIS

TY - JOUR

T1 - Simulation of structure and thermodynamic properties of the double of ozone and carbon dioxide hydrates using molecular and lattice dynamics methods

AU - Bozhko, Yu Yu

AU - Gets, K. V.

AU - Subbotin, O. S.

AU - Belosludov, V. R.

PY - 2019/11/21

Y1 - 2019/11/21

N2 - Ozone is a very effective medical, industrial and agricultural disinfector, bleacher and deodorizer. Ozone acts very quickly, but its decay rate is also high. Gas hydrate formation is a promising method for storing ozone and ozone-containing gas mixtures. We use molecular dynamics (conjugate gradient) and lattice dynamics method to calculate the free energy double O3+CO2 hydrate of cubic structure I at 270 K and 275 K temperatures and various gas phase compositions. It allowed determining the chemical potential of water molecules depending on pressure at given temperatures and compositions. Comparison with Ih ice and liquid water allowed us to determine regions of O3+CO2 double hydrate stability. The presented results may be useful in studies of thermodynamic stability areas of hydrates obtained from pure ozone (e.g. liquid ozone), its mixtures and in the development of corresponding storage technologies.

AB - Ozone is a very effective medical, industrial and agricultural disinfector, bleacher and deodorizer. Ozone acts very quickly, but its decay rate is also high. Gas hydrate formation is a promising method for storing ozone and ozone-containing gas mixtures. We use molecular dynamics (conjugate gradient) and lattice dynamics method to calculate the free energy double O3+CO2 hydrate of cubic structure I at 270 K and 275 K temperatures and various gas phase compositions. It allowed determining the chemical potential of water molecules depending on pressure at given temperatures and compositions. Comparison with Ih ice and liquid water allowed us to determine regions of O3+CO2 double hydrate stability. The presented results may be useful in studies of thermodynamic stability areas of hydrates obtained from pure ozone (e.g. liquid ozone), its mixtures and in the development of corresponding storage technologies.

KW - STORAGE CAPACITY

KW - O-3

UR - http://www.scopus.com/inward/record.url?scp=85076481367&partnerID=8YFLogxK

U2 - 10.1088/1742-6596/1359/1/012055

DO - 10.1088/1742-6596/1359/1/012055

M3 - Conference article

AN - SCOPUS:85076481367

VL - 1359

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 1

M1 - 012055

T2 - 4th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2019

Y2 - 15 September 2019 through 22 September 2019

ER -

ID: 22871061