Abstract
A comprehensive theoretical investigation of nickel ferrite (NiFe2O4) surfaces is undertaken to understand the structure and stability of nanocrystallites that would be present under conditions of hydrothermal synthesis (HTS). In particular, the focus is on conditions characteristic to an operating pressurized water nuclear reactor (PWR). Solid–liquid equilibrium is assumed between bulk nickel ferrite and the aqueous environment saturated with respect to nickel ferrite. A theoretical framework is developed in which the surface energies are evaluated in terms of concentrations of aqueous metal cations, pH, temperature, and pressure. The energies of the bare and water terminated surfaces are calculated and discussed. Surfaces that have more metal cations exposed are found to be more stable. Water adsorption on the nickel ferrite surfaces is an exothermic process, with the magnitude of exothermicity decreasing as a function of temperature. At temperatures relevant to operating PWRs, the energy gain due to wa...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
