Monte Carlo simulation of the grand canonical ensemble

J. Yao DM International, Inc., P.O. Box 36444, Houston, Texas, 77036, U.S.A.

R.A. Greenkorn School of Chemical Engineering, Purdue University, West Lafayette, Indiana, 47907, U.S.A.

K.C. Chao School of Chemical Engineering, Purdue University, West Lafayette, Indiana, 47907, U.S.A.

Abstract

A Monte Carlo method of simulation of the grand canonical ensemble based on the concept of maximum number of molecules is applied to the 6 : 12 Lennard-Jones fluid and the results compared with Adams' [1] at T*=1·15 and 1·25. The method generates equally reliable data using a much smaller number of molecules. Fluid states near a phase transition are simulated.

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Monte Carlo simulation of the grand canonical ensemble

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Monte Carlo simulation of the grand canonical ensemble

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