Monte Carlo simulations on the thermodynamic properties of high-density gases


Correspondence to: Shide Hu, School of Sciences, Southwest Petroleum University, Chengdu Sichuan, 610500, China.



The thermodynamic properties of Ar, H2 and CH4 at high-density conditions are studied using Monte Carlo simulations. The isotherms of Ar at 500K, H2 at 1000K and CH4 at 500K are obtained respectively. To validate the accuracy of the simulation results, the thermodynamic properties of these gases are also studied with van der Waals equation and compared with the reference data. The agreement with reference shows that Monte Carlo method can produce reliable thermodynamic properties of high-density gases based on the accurate intermolecular potential model. Therefore, the accuracy of the simulations depends primarily on the accuracy of the potential model, and this dependence is also discussed. Copyright © 2012 John Wiley & Sons, Ltd.