科研之友
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摘要
The pressure in an isothermal-isochoric (or constant-NVT for short) Gibbs ensemble, which consists of two coexisting phases in equilibrium as the subsystems, was derived in terms of the microscopic degrees of freedom of the ensemble. The usual virial expression for pressure was found to be valid only approximately for subsystems that compose the ensemble. Fortunately, however, application of the expression is acceptable within most of the two-phase region except in the vicinity of the critical point. This was directly confirmed by conducting the Monte Carlo simulations which generate the isothermal-isobaric (constant-NpT) Gibbs ensembles as well as the constant-NVT ones.
- 出版日期2011-2
