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 -