Detection of hydrolyzed plutonium chloride compounds generated by moisture intrusion of pyroprocessing hot cell using density functional theory

This study explored methods for identifying hydrolyzed plutonium chloride compounds in the pyroprocessing system. Pyroprocessing is a non-aqueous process, where water and moisture are absent under normal operating conditions. Therefore, the formation of hydrolyzed plutonium chloride compounds is an indicator of water or moisture intrusion. Pu(III)/Pu(IV) chloride reaction products were theoretically investigated, where the structures and chemical bonding were simulated using natural population charge and bond order analyses. Various spectroscopic techniques were capable of detecting and distinguishing hydrolyzed plutonium chloride compounds. This study provides valuable insight for the development of a hydrolyzed plutonium complex detection system.