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首页> 美国政府科技报告 >SHINE Target-Solution Chemistry: Thermodynamic Modeling of Speciation, Precipitate Formation, and the Chemical Effects of Stainless Steel Corrosion.
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SHINE Target-Solution Chemistry: Thermodynamic Modeling of Speciation, Precipitate Formation, and the Chemical Effects of Stainless Steel Corrosion.

机译：sHINE目标 - 溶液化学：形态，沉淀形成和不锈钢腐蚀的化学效应的热力学模型。

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The following results are from modeling the chemistry of the target solution. The saturation state of the solution is calculated with respect to an extensive database that identifies solid phases that are thermodynamically stable (candidates for possible precipitation) under relevant conditions (temperature, pH, Eh, oxygen partial pressure, etc.). The aqueous speciation of the solution is also described, as this information can be used to predict the chemical evolution of the system (pH, Eh, saturation state, etc.) if conditions change (temperature, solution composition, etc.). The key observations made in this study are: 1) The solution is predicted to be saturated with respect to several solid phases, although some of these are not expected to form due to slow precipitation kinetics. Examples of phases that could form but have unknown precipitation kinetics that may need to be investigated experimentally are ZrO2, SnO2, BaSO4, CoWO4, and RuO2. 2) Uranyl peroxide (studtite or metastudtite) may precipitate if the steady-state concentration of radiolytically generated peroxide is maintained above a certain threshold value. Based on the limited thermodynamic data available, the threshold concentration of hydrogen peroxide for precipitation of uranyl peroxide was found be around 3.0E-4 mol/L at room temperature. 3) At temperatures above 50oC up to 100oC the target solution is actually more likely to precipitate ferric iron oxides and a beryllium oxide due to the increasing saturation indices for the system of interest.

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