Monte Carlo Procedure for Statistical Mechanical Calculations in a Grand Canonical Ensemble of Lattice Systems

The Monte Carlo method of estimating statistical mechanical averages in the petite canonical ensemble, described by Rosenbluth et al., Wood and Parker (for fluid systems), and Salsburg et al. (for lattice models), has been extended to a general multicomponent lattice model in a restricted grand canonical ensemble. The procedure is applied to the two‐dimensional traingular lattice gas with periodic boundary conditions at a supercritical temperature (βe= —ln2), and numerical results are presented for the energy, specific heat, density, isothermal compressibility, thermal‐expansion coefficient, and grand partition function (pressure) at Δ=0.1, 0.0, —0.1, —0.2, —0.3, —0.4, —0.6, —0.8 (with B=100); at B=16, 25, 36, 49, 64, 100, 196 (with Δ=0.0); where Δ=βμ—3βe; where e is the nearest‐neighbor interaction; β=(kT)—1, where μ is the chemical potential; and B is the number of sites. These are compared (where possible) with previous (Salsburg et al.) and additional petite‐ensemble Monte Carlo results. This comparis...