Abstract
Results are presented for the effect of periodic boundary conditions on predictions made using the grand canonical ensemble for systems of limited size. A Monte Carlo study of a realistic gas-solid adsorption model and an exact study of the Tonks gas both show that it is necessary for the minor dimension of the replicated system to be 5 σ or greater if errors in the partition function equivalent to δμ > 0.2 kT are to be avoided. The heat capacity C μ has similar requirements. However, for quantities such as the isosteric heat of adsorption, < N > and < U > even a dimension as small as 3σ does not lead to serious errors. An examination is presented of possible implications for studies of phase changes.
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