Molecular Simulation of Adsorbed Natural Gas

Abstract

Abstract Adsorbed natural gas is being investigated as a substitute for gasoline. The most important factor in engineering studies is the maximum storage capacity of adsorbents for natural gas. Monte Carlo calculations were performed to simulate the adsorption of natural gas on activated carbon. Adsorption isotherms, storage capacities, and isosteric heats were determined from simulations and compared with experimental data. Simulations predict a maximum storage capacity of 244 V/V at 35 atm.