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<p>We present an upgraded version of the model GRAAL (Glass Reactivity with Allowance for the Alteration Layer model) to predict nuclear glass alteration. GRAAL2 accounts for the formation and diffusion properties of the gel which constitutes a passivating alteration layer at the interface between the pristine glass and the aqueous environment, as well as the feedbacks between the gel chemistry and passivation properties. Solubility and apparent diffusion of the gel end members are optimized thanks to geochemical equilibrium calculations and Newton-Raphson and bisection methods, respectively. Modelling reliability is analyzed through the root mean square deviation of the model to the experimental data. A sensitivity analysis based on the propagation of the analytical uncertainties to the modelling parameters is also provided. The model is applied to alteration experiments on simple glass CJ2 at 90 °C, pH 9, and different surface-to-volume ratios and solutions compositions (pure water and solutions spiked with Si or Na).</p>

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The GRAAL2 glass alteration model: initial qualification on a simple chemical system

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年4月28日

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  • Maxime Delcroix,
  • Pierre Frugier,
  • Emma Geiger,
  • Catherine Noiriel

摘要

We present an upgraded version of the model GRAAL (Glass Reactivity with Allowance for the Alteration Layer model) to predict nuclear glass alteration. GRAAL2 accounts for the formation and diffusion properties of the gel which constitutes a passivating alteration layer at the interface between the pristine glass and the aqueous environment, as well as the feedbacks between the gel chemistry and passivation properties. Solubility and apparent diffusion of the gel end members are optimized thanks to geochemical equilibrium calculations and Newton-Raphson and bisection methods, respectively. Modelling reliability is analyzed through the root mean square deviation of the model to the experimental data. A sensitivity analysis based on the propagation of the analytical uncertainties to the modelling parameters is also provided. The model is applied to alteration experiments on simple glass CJ2 at 90 °C, pH 9, and different surface-to-volume ratios and solutions compositions (pure water and solutions spiked with Si or Na).