STUDY FOR THE STABILITY OF CO2 CLATHRATE-HYDRATE USING MOLECULAR-DYNAMICS SIMULATION

Investigation using molecular dynamics simulation has been conducted i n order to clarify the stability and to obtain the fundamental underst anding of CO2 clathrate-hydrate. It was revealed from the MD simulatio n that the CO2 clathrate-hydrate is unstable as compared with both emp ty and Argon clathrate-hydrates. The reason for the unstableness is di scussed based on the database obtained from the simulation. The repuls ive force acting between the O atoms of CO2 and O atom in H2O consisti ng the cage have a destabilizing effect on the CO2 clathrate-hydrate l attice structure.