Selectivity of new siliceous zeolites for separation of methane and carbon dioxide by Monte Carlo simulation

- The adsorption and separation properties of new siliceous zeolites were investigated.
- The force fields of COMPASS, PCFF, CVFF, DREIDING and Universal were used in the GCMC.
- The PCFF is the best force field for simulation of adsorption in zeolites.
- RWY zeolite is the best zeolite types for the separation of binary mixture.