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

The properties of uranium hexafluoride (UF 6 , 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 UF 6 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 UF 6 . However, both approaches need improvement since the predictions are still far from reproducing experimental saturated liquid density data for UF 6 .