Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research › peer-review
Theoretical Study of Thermodynamic Stability Zone of Gas Hydrates Formed from Sea Water. / Zhdanov, R. K.; Gets, K. V.; Bozhko, Y. Y. et al.
Materials Science Forum. Trans Tech Publications Ltd, 2023. p. 175-180 23 (Materials Science Forum; Vol. 1086).Research output: Chapter in Book/Report/Conference proceeding › Chapter › Research › peer-review
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TY - CHAP
T1 - Theoretical Study of Thermodynamic Stability Zone of Gas Hydrates Formed from Sea Water
AU - Zhdanov, R. K.
AU - Gets, K. V.
AU - Bozhko, Y. Y.
AU - Belosludov, V. R.
N1 - The reported study was funded by RFBR and MOST, project number 21-52-52001.
PY - 2023/4
Y1 - 2023/4
N2 - In this work we used a combination of molecular dynamic simulation and statistical thermodynamic theory in order to obtain stability region of propane hydrates formed from sea water. MD simulation were used to get thermodynamic properties of liquid water phase, while statistical thermodynamic theory were applied for solid hydrate phase. We reconstructed phase equilibrium line ‘sea water – hydrate – gas’ and according to our calculations the temperature shift of this line is about 3◦. Moreover, we have shown a possibility to obtain thermodynamic parameters of salt water directly from MD simulations with sufficient accuracy.
AB - In this work we used a combination of molecular dynamic simulation and statistical thermodynamic theory in order to obtain stability region of propane hydrates formed from sea water. MD simulation were used to get thermodynamic properties of liquid water phase, while statistical thermodynamic theory were applied for solid hydrate phase. We reconstructed phase equilibrium line ‘sea water – hydrate – gas’ and according to our calculations the temperature shift of this line is about 3◦. Moreover, we have shown a possibility to obtain thermodynamic parameters of salt water directly from MD simulations with sufficient accuracy.
KW - molecular dynamic simulation
KW - propane hydrates
KW - thermodynamic stability
UR - https://www.scopus.com/record/display.uri?eid=2-s2.0-85159092145&origin=inward&txGid=7df8be8a921e581fc3609e3f0b53ce30
UR - https://www.mendeley.com/catalogue/25a1fdbd-c500-33dc-87a6-2b5a66405776/
U2 - 10.4028/p-9r9e8k
DO - 10.4028/p-9r9e8k
M3 - Chapter
T3 - Materials Science Forum
SP - 175
EP - 180
BT - Materials Science Forum
PB - Trans Tech Publications Ltd
ER -
ID: 56536886