Thermodynamic equilibrium and kinetic fundamentals of oxide dissolution in aqueous solution

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Thermodynamic equilibrium and kinetic fundamentals of oxide dissolution in aqueous solution Jianwei Wang1,a) 1

Department of Geology and Geophysics, Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, USA a) Address all correspondence to this author. e-mail: [email protected] Received: 2 November 2019; accepted: 27 March 2020

Dissolution of oxides in aqueous solutions is fundamentally important for a range of applications and a critical process that determines the chemical durability of industrial ceramics, the performance of nuclear waste forms, and the chemical weathering of minerals. The thermodynamic equilibrium and kinetics of dissolution reactions are key to determining the rate at which oxides dissolve. The increase in collaborative research across disciplines in materials research necessitates a common background to tackle shared scientific problems across different fields. This review selectively examines the fundamentals of dissolution theories that have been developed in chemistry, geochemistry, and materials science, and assembles them into a single collective document for the broader materials science community. Applications of the theories are highlighted using examples from specific areas, but can be similarly applied to other areas. Challenges and future research needs for a predictive-level understanding are discussed in light of the current literature.

Jianwei Wang

Dr. Jianwei Wang is an Associate Professor in the Department of Geology and Geophysics at Louisiana State University. He received his Ph.D. from University of Illinois at Urbana-Champaign in Earth Materials and Geochemistry. Prior to joining Louisiana State University, Dr. Wang was a Postdoctoral Research Associate and then Assistant Research Scientist at University of California at Davis and University of Michigan. His research spans from water-rock interactions and dissolution of minerals and ceramics in Environmental Geochemistry, high pressure of materials and liquid alloys in Mineral Physics, and irradiation effect and nuclear waste forms in Nuclear Energy. Dr. Wang is specialized in atomistic scale modeling and electronic structure calculations of the materials using high-performance computers. His research focuses on the understanding of the structure and property relationship of materials for energy and environmental applications. Using theory, computation, and experiment, Dr. Wang with his research group is currently developing methods to predict the long-term dissolution rate of ceramics in the environment and effect of light elements on physical properties of liquid iron-nickel alloy in the Earth’s outer core.

Introduction The thermodynamic equilibrium and kinetics of oxide dissolution reactions determine their chemical durability in aqueous solutions. The rate at which these materials dissolve into the environment is of great interest in a range of applications, such as the synthesis and performance of ceramics, reactive tr

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