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Protocol for Measuring the Thermal Properties of a Supercooled Synthetic Sand-water-gas-methane Hydrate Sample
Published on: March 21, 2016
Thermodynamics of supersaturated steam: Molecular simulation results
1Faculty of Science, J. E. Purkinje University, 400 96 Ústí nad Labem, Czech Republic.
Abstract:
Supersaturated steam modeled by the Gaussian charge polarizable model [P. Paricaud, M. Předota, 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.
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