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首页> 外文期刊>Surface Science >A DFT study of iodine interaction with nuclear reactor cooling system surfaces under severe accident conditions
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A DFT study of iodine interaction with nuclear reactor cooling system surfaces under severe accident conditions

机译：严重事故条件下与核反应堆冷却系统表面碘相互作用的DFT研究

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摘要

A severe nuclear accident can lead to the release of radiotoxic iodine compounds in either aerosol form (e.g. metal iodides or iodine oxides) or gaseous form (e.g. organic iodide as CH3I or inorganic as I2) species. 131I is particularly dangerous because of its possible absorption by the human body especially by the thyroid. Gaseous iodine is mainly formed in the nuclear containment building, is dispersed in the case of outside releases and may contribute in short term to long-distance contamination. Metallic iodide species are mainly formed at high temperature and partly condensed on the walls of the reactor coolant system (RCS), the rest being either deposited on the RCS or transported to the containment building. In this paper, we study theoretically, in severe accidental conditions, the adsorption of the metallic iodides on the surface of the primary circuit which is composed of Fe or Cr oxides. At high coverage, AgI and CdI2 form networks on the surfaces of the RCS whereas at low coverage the molecules are isolated. This study, setting out from the stable adsorbates, investigates the chemical mechanisms leading to the iodine re-vaporization. The formation of I2(g) from adsorbed AgI or CdI2 is thermodynamically and kinetically possible on over-oxidized chromium surfaces. On alternative surfaces, the coadsorption of an oxidant, OH? issued from the steam radiolysis, is necessary to form I2(g). This study tends to show that delayed releases of gaseous iodine are likely to happen from the deposited iodide.
机译：严重的核事故可以导致释放以气溶胶形式（例如金属碘化物或碘氧化物）或气态形式（例如有机碘或CH 3 I或无机作为I2）物种的释放戒毒碘化合物。 131i是特别危险的，因为它可能是人体的吸收，尤其是甲状腺。气态碘主要在核遏制建筑中形成，在外部释放的情况下分散，并且可能在短期内贡献长距离污染。金属碘化物物种主要形成在高温下并在反应器冷却剂系统（RCS）的壁上部分凝聚，其余部分沉积在RC上或运输到容纳建筑物上。在本文中，我们在理论上研究了在严重的意外条件下，在由Fe或Cr氧化物组成的主回路表面上的金属碘化物的吸附。在高覆盖范围内，AGI和CDI2在RC的表面上形成网络，而在低覆盖范围内，分离分子。该研究从稳定的吸附物中排出，研究了导致碘重新蒸发的化学机制。从吸附的AGI或CDI2中形成I2（G）在过氧化的铬表面上进行热力学和动力学。在替代表面上，氧化剂的共吸收，哦？从蒸汽辐射溶解中发出，是形成I2（G）的必要条件。该研究倾向于表明延迟释放的气态碘量可能发生在沉积的碘化物中。

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  • 来源
    《Surface Science》 |2021年第10期|121890.1-121890.11|共11页
  • 作者

    Hu Hao; Souvi Sidi; Cantrel Laurent; Paul Jean-Francois;

  • 作者单位

    Univ Lille CNRS Cent Lille ENSCL UMR 8181 UCCS F-59000 Lille France;

    Univ Lille CNRS Cent Lille ENSCL UMR 8181 UCCS F-59000 Lille France;

    Inst Radioprotect & Surete Nucl IRSN PSN RES F-13115 Saint Paul Lez Durance France;

    Univ Lille CNRS Cent Lille ENSCL UMR 8181 UCCS F-59000 Lille France;

  • 收录信息
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    DFT; Iodine; Nuclear safety; Chromium oxide; Iron oxide;

    机译：DFT;碘;核安全;氧化铬;氧化铁;

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