Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements | Zendy

Murali Gopal Muraleedharan | Zendy; Hassnain Asgar | Zendy; Seung Ho Hahn | Zendy; Nabankur Dasgupta | Zendy; Greeshma Gadikota | Zendy; Adri C. T. van Duin | Zendy

Open Access

Interfacial Reactivity and Speciation Emerging from Na-Montmorillonite Interactions with Water and Formic Acid at 200 °C: Insights from Reactive Molecular Dynamics Simulations, Infrared Spectroscopy, and X-ray Scattering Measurements

Author(s) -

Murali Gopal Muraleedharan,

Hassnain Asgar,

Seung Ho Hahn,

Nabankur Dasgupta,

Greeshma Gadikota,

Adri C. T. van Duin

Publication year - 2021

Publication title -

acs earth and space chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.876

H-Index - 19

ISSN - 2472-3452

DOI - 10.1021/acsearthspacechem.0c00286

Subject(s) - reaxff , molecular dynamics , montmorillonite , chemistry , formic acid , formate , chemical physics , carbonate , infrared spectroscopy , spectroscopy , inorganic chemistry , chemical engineering , computational chemistry , catalysis , organic chemistry , physics , interatomic potential , engineering , quantum mechanics

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