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The atomistic mechanism of nickel (Ni) oxidation in supercritical water (SCW) is investigated using molecular dynamics simulations with a reactive force field. The oxidation kinetics of Ni surfaces in SCW at 300−800°C and 26−164kg/m3 are simulated. The adsorption, dissociation, and deprotonation processes of water, and the hydroxylation and oxidation processes of Ni are tracked. The oxidation potential...
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