Abstract
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.
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