Using conjugate gradient and lattice dynamics methods the theoretical study of thermodynamics properties of methane sI and propane sII hydrates doped with small amount of potassium hydroxide was conducted. Potassium hydroxide was partially embedded in the host framework lattice of hydrate. The vibration densities of states were found and the stability of the doped hydrate was confirmed. For a wide range of temperatures the free energy curves were built and compared to results for non-doped hydrate structures. Based on this data the thermal expansion coefficient dependence on the temperature was calculated and the possibility of methane and propane hydrate self-preservation was studied.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 15 Dec 2020|
|Event||5th All-Russian Scientific Conference Thermophysics and Physical Hydrodynamics with the School for Young Scientists, TPH 2020 - Yalta, Crimea, Ukraine|
Duration: 13 Sep 2020 → 20 Sep 2020