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Abstract: This paper presents a theoretical evaluation of the influence of compressor oil admixtures on the thermodynamic performance of a vapor compression system using natural refrigerant R600a. The performance determination is based on the developed pressure–enthalpy diagrams (P–h) for the refrigerant oil solution (isobutane-mineral compressor oil Azmol). A method for calculating the enthalpy of refrigerant–oil solutions has been proposed and the influence of the compressor oil admixtures to isotherms the pressure–enthalpy diagrams has been analyzed. The change of enthalpy at the different oil concentrations in the working fluid in an evaporator has been investigated. An application of the developed refrigerant–oil P–h diagrams for the theoretical evaluation of the efficiency of the vapor compression systems is also demonstrated. [Copyright &y& Elsevier]

• Coupling of a sever accident code with a thermodynamic modelling package. • Improved description of the Mo and Ba species release from the nuclear fuel. • The developed code reproduced fission products release during the VERDON experiment. • The species partitioning and release behaviour depends on the redox conditions. The treatment of chemistry and thermodynamics in the integral severe accident codes is typically limited. A more accurate treatment of the chemistry during the severe accident modelling is, therefore, of great interest. For this purpose, the work is focused on the development of coupling of the MELCOR code with chemical thermodynamic calculations using GEMS codes and HERACLES database. Developed coupling between the two codes, called cGEMS, allowed for the improved thermodynamic description of the fission product release from the nuclear fuel under severe accident conditions. VERDON-1 test was selected as an experimental reference for the simulations. Experimental release behaviour of Mo, Cs and Ba observed in VERDON-1 experiment was reproduced by the developed coupled code. Performed simulations provided detailed information about the fission product speciation at different redox conditions. The obtained information and the developed code provides a more accurate description of the fission product behaviour and release during severe accidents. [ABSTRACT FROM AUTHOR]

The release of fission product and salt compounds from a molten salt reactor fuel under accident conditions was investigated with coupled computer simulations. The thermodynamic modeling of the salt and fission product mixture was performed in The Gibbs Energy Minimization Software GEMS and the obtained compound vapor pressures were exchanged with the severe accident code MELCOR, where the evaporation from a salt surface located at the bottom of a confinement building was simulated. The fuel salt considered in the simulations was LiF-ThF 4 -UF 4 with fission products Cs and I. The composition of the fuel salt material was obtained from an equilibrium fuel cycle simulation of the salt using the EQL0D routine coupled to the Serpent 2 code. The results were compared to simulations using pure compound vapor pressures in the evaporation simulations. It was observed that by modeling the salt mixing the release of fission products and salt materials was reduced when compared to the pure compound simulations. The mixing effects in the salt, when compared to the pure compound simulation also affected evaporation temperatures and therefore the timing of the release of compounds. In an additional simulation in which the depressurization of the confinement was considered, the total evaporated mass of compounds increased due to increased mass transfer at the salt surface. The simulation process described in this paper can be used for a more comprehensive accident analysis of molten salt reactors once the detailed description of the reactor confinement and accident sequences are available and more fission product elements have been added to the analysis. • Novel simulation of Cs and I release from the MSR fuel in accident conditions. • Mixing effects in the salt reduce fission product release. • Mixing affects the speciation of evaporated fission products. [ABSTRACT FROM AUTHOR]

Abstract Modern thermodynamic assessment studies of multicomponent systems typically employ the Compound Energy Formalism (CEF) to describe phases of variable composition, which may show effects of chemical ordering. In CEF, the ordering is described by splitting a crystallographic site in which several components can substitute for each other into subsites (sublattices) and by allowing fractional occupancies of these subsites to vary. This type of component redistribution over subsites (sublattices) is classified in solid solution theories as long-range order (LRO). A well-known shortcoming of CEF is the absence of a direct description of the effects of short-range order (SRO), which do not involve a redistribution of components between sublattices, but reveal themselves in various modes of clustering. Here we show that SRO can be taken into account within CEF as an additional (fictive) LRO effect driven by an extra negative excess enthalpy term. We argue that the mathematical form of this term should be constrained such that it ensures its vanishing both in low- and high-temperature limits. Including such a term into CEF allows a significant improvement in the description of phase relations in the system of calcite-magnesite, CaCO 3 -MgCO 3. The modified CEF model with SRO emulation is made available in the GEM-Selektor software. [ABSTRACT FROM AUTHOR]