Abstract: The Gibbs ensemble Monte Carlo simulation method has been investigated and used to calculate the vaporliquid equilibria of a real binary mixture, argon-methane. In this simulation, the micro-structural and macroscopic properties, including the distribution function, internal energy, densities and compositions of coexisting vapor and liquid phases as well as the enthalpy of vaporization are obtained. Compared with experimental data and calculated results from equations of state, our simulated phase equilibrium properties are of good accuracy, which demonstrates that this simulation methods is a powerful tool in research on phase equilibria of fluids.

Key words: Monte Carlo simulation, Gibbs ensemble, vapor-liquid equilibrium

摘要： The Gibbs ensemble Monte Carlo simulation method has been investigated and used to calculate the vaporliquid equilibria of a real binary mixture, argon-methane. In this simulation, the micro-structural and macroscopic properties, including the distribution function, internal energy, densities and compositions of coexisting vapor and liquid phases as well as the enthalpy of vaporization are obtained. Compared with experimental data and calculated results from equations of state, our simulated phase equilibrium properties are of good accuracy, which demonstrates that this simulation methods is a powerful tool in research on phase equilibria of fluids.

关键词: Monte Carlo simulation;Gibbs ensemble;vapor-liquid equilibrium