The natural gas storage capacity in homogeneous armchair open–ended single walled carbon nanotube (SWCNT) and single walled boron nitride nanotube (SWBNNT) triangular arrays was evaluated using grand canonical Monte Carlo (GCMC) simulation [1,2]. The applied intermolecular forces are modeled using (12,6) Lennard-Jones potential model. The diameter of NTs used in this study varies from 10.85 Å to 19.00 Å and 11.08 Å to 19.42 Å for CNTs and BNNTs, respectively. The simulations were carried out at temperatures of 273, 298, 323 and 373 K and pressures of 0.5 up to 9.0 MPa. The absolute, excess, and delivery adsorption isotherms were calculated. The specific surface area and the isosteric heat of adsorption were computed. Different isotherm models were fitted on the simulated adsorption data, and the model parameters are correlated.

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