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小分子吸附剂对PuO2纳米颗粒形态的影响从第一原则建模

Samuel Moxon1, Joseph Flitcroft2, Jonathan M Skelton3

  • 1Department of Physical and Life Sciences, University of Huddersfield, Queensgate, Huddersfield, HD1 3DH, UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND.

Journal of physics. Condensed matter : an Institute of Physics journal
|January 8, 2026
PubMed
概括

预测二氧化 (PuO2) 纳米粒子的行为是核废物安全的关键. 这项研究模拟了水,CO2和H2O2如何影响PuO2表面,揭示了影响地质处置设施废物形式演变的复杂相互作用.

关键词:
在H2O,CO2和H2O2的 (共同) 吸附过程中.绝吸温度是绝吸的温度.第一个原则模型与密度函数理论.纳米粒子形态学的纳米粒子形态.二氧化 (PuO2,) 的二氧化.表面的特异化是表面的特异化

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In precipitation gravimetry, the precipitating agent should react specifically or selectively with the analyte. While a specific reagent reacts with the analyte alone, a selective reagent can react with a limited number of chemical species.
The obtained precipitate should be either a pure substance of known composition or easily converted to one by a simple process, such as ignition or drying. In addition, the precipitate should be insoluble and easily filterable. In general, filterability...