Thermodynamics of supersaturated steam: Molecular simulation results

摘要

Supersaturated steam modeled by the Gaussian charge polarizable model [P. Paricaud, M. Predota, and A. A. Chialvo, J. Chem. Phys. 122, 244511 (2005)] and BK3 model [P. Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)] has been simulated at conditions occurring in steam turbines using the multiple-particle-move Monte Carlo for both the homogeneous phase and also implemented for the Gibbs ensemble Monte Carlo molecular simulation methods. Because of these thermodynamic conditions, a specific simulation algorithm has been developed to bypass common simulation problems resulting from very low densities of steam and cluster formation therein. In addition to pressure-temperature-density and orthobaric data, the distribution of clusters has also been evaluated. The obtained extensive data of high precision should serve as a basis for development of reliable molecular-based equations for properties of metastable steam. Published by AIP Publishing.