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

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

doi:10.1021/acsearthspacechem.0c00286

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

Journal Article · Fri Apr 23 00:00:00 EDT 2021 · ACS Earth and Space Chemistry

DOI:https://doi.org/10.1021/acsearthspacechem.0c00286· OSTI ID:1853017

^[1]; ^[2]; ^[3]; ^[4]; Gadikota, Greeshma ^[2]; ^[3]

Department of Mechanical Engineering, Pennsylvania State University, State College, Pennsylvania 16802-1503, United States; OSTI
School of Civil and Environmental Engineering, Cornell University, Ithaca, New York 14853, United States
Department of Mechanical Engineering, Pennsylvania State University, State College, Pennsylvania 16802-1503, United States
Department of Engineering Science and Mechanics, Pennsylvania State University, State College, Pennsylvania 16802-1503, United States

Not provided.

Research Organization:: Univ. of Utah, Salt Lake City, UT (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019285

OSTI ID:: 1853017

Journal Information:: ACS Earth and Space Chemistry, Journal Name: ACS Earth and Space Chemistry Journal Issue: 5 Vol. 5; ISSN 2472-3452

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

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