2019 journal article
Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors
JOURNAL OF NUCLEAR MATERIALS, 526.
Results of first-principles calculations have been combined with thermochemical data to evaluate the free energies of formation and the equilibrium composition of Cr-containing nickel ferrite spinel in contact with aqueous solution. Under conditions of solid-liquid equilibrium, with temperature, pH, and concentration of aqueous cations (Ni2+, Fe2+/3+, Cr3+) that are characteristic to operating light water reactors (LWRs), Cr is incorporated at the octahedral site of the spinel up to 12–14 at. %. The effects of temperature, pH, and concentration of aqueous species on the spinel composition are discussed.