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Filtering by: Creator Chan, Dr. Hing Ling Remove constraint Creator: Chan, Dr. Hing Ling Advisor Arnadottir, Liney Remove constraint Advisor: Arnadottir, Liney

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  • Density Functional Theory Study of the Reaction Mechanism of Chloride-induced Depassivation of α-Fe2O3

    Creator:
    Pang, Qin
    Abstract:
    Carbon steel, which contains mostly iron, has been widely used as reinforcement in reinforced concrete. In the alkaline environment in reinforced concrete, a thin iron oxide film, called the passive film, forms on the surface of the steel, which protects the surface from active corrosion. The exact atomic structure of...
    Resource Type:
    Dissertation
    Full Text:
    research. I would like to thank Dr. Hossein DorMohammadi, my research partner. Thank you for providing

  • Analyzing the Kinetics and Thermodynamics of Surface Reactions using Density Functional Theory

    Creator:
    Sprowl, Lynza H.
    Abstract:
    The interactions of chemical species with a solid surface play a role in many everyday applications such as heterogeneous catalysis, corrosion, and degradation reactions. Understanding the reaction kinetics and thermodynamics via rate constants and equilibrium constants, which require knowledge of the adsorbed species’ entropy, is essential for tuning these surface...
    Resource Type:
    Dissertation
    Full Text:
    -Coppolino, Jimmy Beaty, Weinan Zhao, and Jie Zhou. Thank you Maria Chan at Argonne National Laboratory