Vapor-liquid phase equilibrium diagram for uranium hexafluoride (UF6) using simplified temperature dependent intermolecular potential parameters (TDIP)

摘要

The properties of uranium hexafluoride (UF6, CAS: 7783-81-5) are of importance to the nuclear industry as a precursor for the enrichment and product spent fuel reprocessing. This work is focused on obtaining the vapor-liquid equilibrium (VLE) curve for UF6 using temperature dependent intermolecular potential parameters (TDIP) as opposed to temperature independent intermolecular potential parameters (TIIP). TDIP indeed improves the simulated vapor-liquid coexistence curve, critical constants, and vapor pressure of UF6. However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF6.