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A simulation method for the calculation of chemical potentials in small, inhomogeneous, and dense systems
2005
Journal of Chemical Physics
We present a modification of the gauge cell Monte Carlo simulation method ͓A. V. Neimark and A. Vishnyakov, Phys. Rev. E 62, 4611 ͑2000͔͒ designed for chemical potential calculations in small confined inhomogeneous systems. To measure the chemical potential, the system under study is set in chemical equilibrium with the gauge cell, which represents a finite volume reservoir of ideal particles. The system and the gauge cell are immersed into the thermal bath of a given temperature. The size of
doi:10.1063/1.1931663
pmid:16008431
fatcat:yas532mrhjeypdt4l4jrdjvxmq