Acta Phys. -Chim. Sin. ›› 2001, Vol. 17 ›› Issue (08): 723-727.doi: 10.3866/PKU.WHXB20010811

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Gibbs Ensemble Monte Carlo Simulation of Adsorption Equilibrium of Methane

Zhou Jian;Wang Wen-Chuan   

  1. College of Chemical Engineering,Beijing University of Chemical Technology,Beijing 100029
  • Received:2001-01-08 Revised:2001-04-09 Published:2001-08-15
  • Contact: Wang Wen-Chuan

Abstract: The adsorption equilibrium of methane in activated carbon was simulated by the Gibbs ensemble Monte Carlo(GEMC) method.A modified GEMC method was proposed to simulate the adsorption equilibrium at a specified pressure.The excess adsorption at 263 K is larger than that at 298 K or 313 K.There exists a maximum excess adsorption at each temperature.At 263 K,the excess adsorption reaches the maximum at 5.0 MPa; while at 298 K or 313 K,the excess adsorption reaches the maximum at about 7.0 MPa.

Key words: Methane, Adsorption, Molecular simulation, Gibbs ensemble Monte Carlo