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 dissociation-recrystallization.
- 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.