LaCl3-NaCl溶融構造の完全な説明と構造的異質性を引き起こすスペーサー塩の概念
Matthew S Emerson1, Shobha Sharma1, Santanu Roy2
1Department of Chemistry, The University of Iowa, Iowa City, Iowa 52242, United States.
Journal of the American Chemical Society
|November 15, 2022
まとめ
溶けた塩の構造は 稀土分離の鍵です この研究では,溶けた塩のランタニドイオンが 熱エネルギーによる単一の支配的状態ではなく 複数の競合する調整状態にあることが明らかになりました
科学分野:
- 材料科学
- 物理化学
- 核工学
背景:
- ランタニドは,溶塩原子炉 (MSR) の重要な分裂産物である.
- 溶融塩のランタニド構造を理解することは,溶融塩の電解による希土元素の分離と回収に不可欠です.
- ランタニド溶融塩の構造に関する既存の文献は断片化され,しばしば矛盾しています.
研究 の 目的:
- ランタニドの局所および中間範囲の構造を整然と混合した溶融塩で統一する.
- La3+の調整,ネットワークの構造,そして屈折ピークの起源に関する具体的な問題に取り組む.
- X線散乱とラマン光譜とシミュレーションの結果を 調和させるため
主な方法:
- X線散乱とラーマンスペクトロスコピーのデータ分析
- シミュレーション結果との比較
- 異なる温度でLaCl3とLaCl3-NaClの混合物を調べる
主要な成果:
- 溶けた塩のM3+イオンに対して,単一の支配的な調整状態の概念は不正確である.
- 複数の競合する調整状態が存在し,熱エネルギーにより相互に変換されます.
- 純粋なLaCl3における最初の鋭い difraktion peak (FSDP) は,新しいピークが混合物で現れる中間の範囲の順序を示すものである.
結論:
- 溶けた塩のM3+イオンの単一の突出した調整状態の概念を放棄する.
- 温度によって影響される多重でダイナミックに変化する 協調状態のモデルを採用します
- 溶けた塩の構造の統一的な理解は,統合された実験とシミュレーションのアプローチによって達成可能である.
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