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

Autor:	Nabankur Dasgupta, Seung Ho Hahn, Adri C. T. van Duin, Hassnain Asgar, Greeshma Gadikota, Murali Gopal Muraleedharan
Rok vydání:	2021
Předmět:	Atmospheric Science Chemistry Formic acid Inorganic chemistry Infrared spectroscopy Molecular dynamics chemistry.chemical_compound Montmorillonite Space and Planetary Science Geochemistry and Petrology Genetic algorithm Reactivity (chemistry) ReaxFF Clay minerals
Zdroj:	ACS Earth and Space Chemistry. 5:1006-1019
ISSN:	2472-3452
Popis:	Reactive organic fluid–mineral interactions at elevated temperatures contribute to the evolution of planetary matter. One of the less studied but important transformations in this regard involves t...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::d2a7aa74cd1ecc3110abe9a360b1c459 https://doi.org/10.1021/acsearthspacechem.0c00286 Zobrazit plný text záznamu