鉱物溶解の分子・マクロスケール制御を解明(Bridging Molecular and Macroscale Controls of Mineral Dissolution)

2025-11-21 パシフィック・ノースウェスト国立研究所(PNNL)

PNNLの研究チームは、アルミニウム水酸化物鉱物ジブサイトの溶解を、分子からマクロまで統一的に説明する新たな機構を明らかにした。従来は表面から単量体が外れるモデルが一般的だったが、実際には二量体の金属‐水酸化物複合体が結合を弱め、構造単位を溶液中へ放出する主要因であることが判明した。原子間力顕微鏡、機械学習、分子動力学、反応速度実験を組み合わせることで、二量体が溶解を加速させる様子が可視化され、鉱物風化、地球化学反応流、核廃棄物タンク中のアルミニウム挙動予測など幅広い分野で応用可能な溶解モデルの構築につながる成果とされた。

鉱物溶解の分子・マクロスケール制御を解明(Bridging Molecular and Macroscale Controls of Mineral Dissolution)
Researchers determined that the aluminum-based mineral gibbsite dissolves via dimeric complexes, a more complicated process than the one originally proposed.(Nathan Johnson | Pacific Northwest National Laboratory)

<関連情報>

二量体複合体による鉱物の溶解 Mineral dissolution by dimeric complexes

Xiaoxu Li, Qing Guo, Yatong Zhao, +14 , and Xin Zhang
Proceedings of the National Academy of Sciences  Published:October 6, 2025
DOI:https://doi.org/10.1073/pnas.2504109122

Significance

Mineral dissolution is central to weathering, reactive flow and transport, ore processing, and more. Interpreting observed rates in terms of a molecular scale dissolution mechanism often requires assumptions about the detaching group. The finding that monomeric building blocks can detach more readily as pairs forces us to rethink those assumptions and refine mechanistic models to more reliably predict dissolution rates across a range of conditions.

Abstract

Mineral dissolution is typically thought to occur by the detachment of monomeric building blocks of the crystal structure, although direct evidence is rare. Using in situ high-speed atomic force microscopy to examine step-edge retreat dynamics at high resolution, we report that the dissolution of gibbsite in alkaline solutions occurs mainly by the release of aluminate dimers, which subsequently dissociate into the monomeric species that dominate the solution. The observed dissolution anisotropy is readily explained by this mechanism, which was further supported by density functional tight-binding simulations of detachment activation energies. Recognition that such polynuclear dissolution mechanisms exist may enable an improved understanding of processes regulating mineral dissolution rates in nature and industry.

0500化学一般
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