Crystal structure, stability and spectroscopic properties of methane and CO2 hydrates
Methane and CO2 hydrates stability is explored by molecular dynamics, simulations. Methane and CO2 exchange in hydrate crystal goes by dissociationrecrystallization. Water defects are compulsory for methane diffusion through clathrate cages. Spectroscopical properties were calculated explaining experimental results. Formation of CO2 and methane hydrates is exothermic and energetically, favourable.
co2 hydrates clathrates methane hydrate molecular-dynamics