Identification of montmorillonite particle edge orientations by atomic-force microscopy

Kraevsky S. V.; Tournassat C.; Vayer M.; Warmont F.; Grangeon S.; Ngouana-Wakou B. F.; A. G. Kalinichev

doi:10.1016/j.clay.2020.105442

Publications

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Identification of montmorillonite particle edge orientations by atomic-force microscopy

Applied Clay Science. 2020. Vol. 186. Article 105442.

Kraevsky S. V., Tournassat C., Vayer M., Warmont F., Grangeon S., Ngouana-Wakou B. F., Kalinichev A. G.

Statistical information on the edge surface area and edge crystallographic orientation of clay nanoparticle surfaces is essential for proper accounting of the protonation-deprotonation reactions as a part of mechanistic surface complexation models. A combination of atomic-force microscopy (AFM) measurements and molecular dynamics computer simulations made it possible to quantify the relative contributions of the most frequently occurring montmorillonite edge surfaces to the total edge surface area. Edge surfaces normal to the [110] and [010] crystallographic directions are found to be the most abundant (~60% and ~20%, respectively), in agreement with previous estimations.

Research target: Earth Sciences Chemical Technologies Chemistry

Priority areas: engineering science

Language: English

DOI

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Keywords: молекулярная динамика atomic force microscopy атомно-силовая микроскопия наноматериалы nanomaterials Атомистическое и многомасштабное моделирование nanoparticles наночастицы atomistic simulations molecular dynamics

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