Quantification of Uranium in Complex Acid Media: Understanding Speciation and Mitigating for Band Shifts

In situ and real-time analysis of chemical systems, or online monitoring, has numerous benefits in all fields of chemistry. A common challenge can be found in matrix effects, where the addition of a new chemical species causes chemical interactions and changes the fingerprints of other chemical species in the system. This is demonstrated here by looking at the Raman and visible spectra of the uranyl ion within combined nitric acid and hydrofluoric acid media. This system is not only highly important to nuclear energy, a green and reliable option for energy portfolios, but also provides a clear chemistry example that can be applied to other chemical systems. The application of optical spectroscopy is discussed, along with the application and comparison of both multivariate curve resolution and HypSpec to deconvolute and understand speciation. Finally, the use of chemical data science in the form of chemometric modeling is used to demonstrate robust quantification of uranium within a complex chemical system where potential matrix effects are not known a priori.