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Citation: Jin Wen-Zheng, Wang Wen-Chuan. Monte Cario Simulation of the Chemical Potentials of N₂-C₆H₆ Mixture[J]. Acta Physico-Chimica Sinica, ;2000, 16(03): 253-257. doi: 10.3866/PKU.WHXB20000312 shu

Monte Cario Simulation of the Chemical Potentials of N₂-C₆H₆ Mixture

1.
College of Chemical Engineering,Beijing Univetsity of Chemical Technology,Beijing 100029

Received Date: 12 July 1999
Available Online: 15 March 2000

Canonical ensemble(NVT) Monte Carlo simulations have been carried out to get the chemical potentials of the mixture of nitrogen and benzene by the Widom test particle method. The Lennard-Jones potential model is adopted for the description of interactions between nitrogen and benzene molecules, respectively. The Metropolis sampling method and periodic boundary condition were used in the simulation. The polynomial approximation expressions of the reduced chemical potentials of benzene and nitrogen varying with the reduced pressure at 300.2K and yB=0.0625 obtained by polynomial fitting are to be used in the adsorptive simulation of this mixture.
- Canonical ensemble,
- Monte Carlo simulation,
- Widom test particle method,
- Chemical potentials
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Monte Cario Simulation of the Chemical Potentials of N₂-C₆H₆ Mixture