Adsorption of Cs+ ion into diand tri-octahedral vermiculites as demonstrated by classical molecular dynamics simulation

Akira Takeuchi

研究成果: Article査読

抄録

The intrinsic adsorption of a Cs+ ion into diand tri-octahedral vermiculites without the presence of K+ ions was demonstrated by a classical molecular dynamics (MD) simulation. The calculation conditions included Coulomb and BornMayerHuggins potentials, assisted by LennardJones potentials under a constant pressure ensemble and valences from a force field for clays (CLAYFF) mainly as well as conventional valences. A monoclinic di-octahedral vermiculite crystal with a 6

本文言語English
ページ(範囲)469-478
ページ数10
ジャーナルMaterials Transactions
62
4
DOI
出版ステータスPublished - 2021 4 1

ASJC Scopus subject areas

  • 材料科学(全般)
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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