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Heavy_Metals_Removal.pdf (512.08 kB)

How Natural Materials Remove Heavy Metals from Water: Mechanistic Insights from Molecular Dynamics Simulations

preprint
submitted on 14.11.2020, 12:41 and posted on 16.11.2020, 10:25 by Fabio Pietrucci, Mauro Boero, Wanda Andreoni
Heavy metals are captured by hemicellulose from water: modeling and simulations. Classical and ab initio molecular dynamics aided by metadynamics. Relevant to the understanding of removal of heavy metals from water sources with natural materials, e.g. spent coffee grains.

History

Email Address of Submitting Author

wanda.andreoni@epfl.ch

Institution

Ecole Polytechnique Federale de Lausanne

Country

Switzerland

ORCID For Submitting Author

0000-0002-2421-0112

Declaration of Conflict of Interest

No conflict of interest

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