Chemistry of the interaction between azole type corrosion inhibitor molecules and metal surfaces

Materials Chemistry and Physics

Volumn 137, Issue 1, 2012, Pages 331-339

  Kovačević, Nataša ^a   Kokalj, Anton ^a  

^a JO EF STEFAN INSTITUTE   (Slovenia)

Author keywords

C. Ab initio calculations; C. Computer modeling and simulation; D. Adsorption; D. Chemisorption

Indexed keywords

AB INITIO CALCULATIONS; ALUMINUM SURFACE; BENZIMIDAZOLES; BENZOTRIAZOLE INHIBITORS; COMPUTER MODELING AND SIMULATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; DEPROTONATED FORM; HETEROATOMS; INHIBITOR MOLECULES; METAL SURFACES; MODEL SYSTEM; ORGANIC CORROSION INHIBITORS; PROTONATED; REACTIVE METALS;

ADSORPTION; ALUMINUM; CHEMISORPTION; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; HYDROGEN; METALLURGY; MOLECULAR ORBITALS; MOLECULES; PROTONATION; TRANSITION METALS;

CORROSION INHIBITORS;

EID: 84868204990     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2012.09.030     Document Type: Article

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