A comprehensive electronic-scale DFT modeling, atomic-level MC/MD simulation, and electrochemical/surface exploration of active nature-inspired phytochemicals based on Heracleum persicum seeds phytoextract for effective retardation of the acidic-induced corrosion of mild steel
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Title
A comprehensive electronic-scale DFT modeling, atomic-level MC/MD simulation, and electrochemical/surface exploration of active nature-inspired phytochemicals based on Heracleum persicum seeds phytoextract for effective retardation of the acidic-induced corrosion of mild steel
Authors
Keywords
Corrosion inhibitors, Heracleum persicum, Adsorption, Computer simulation, EIS
Journal
JOURNAL OF MOLECULAR LIQUIDS
Volume -, Issue -, Pages 115764
Publisher
Elsevier BV
Online
2021-02-27
DOI
10.1016/j.molliq.2021.115764
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