Table 3 Molecular dynamics parameters of corrosion inhibitors.

From: Preparation and properties study of self-healing anticorrosive coating based on MCM-41 nanocontainer and triazinyl corrosion inhibitor

Etotal (kJ/mol)

EInh (kJ/mol)

Ebingding (kJ/mol)

Eads (kJ/mol)

-19,943.440

-730.790

1058.609

− 1058.609

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