Cation disorder in todorokite nanopores: A free-energy-perturbation molecular dynamics simulation study

Presentation information

Oral Session

Sat. Aug 19, 2023 9:00 AM - 12:15 PM ROOM3 (Meeting Room 1)

Chairman:Keisuke Fukushi(Kanazawa University)、Hiroyuki Kagi(The University of Tokyo)、Satoshi Utsunomiya(Kyushu University)

9:00 AM - 9:15 AM

*Juhyeok Kim¹, Kideok Kwon¹ (1. Kangwon National Univ. (Korea))

Keywords:Todorokite, metal partitioning, free-energy-perturbation molecular dynamics simulation, cation disorder

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