Molecular dynamics and quantum chemical calculation studies on 4,4-dimethyl-3-thiosemicarbazide as corrosion inhibitor in 2.5 M H 2SO4

Materials Chemistry and Physics

Volumn 129, Issue 1-2, 2011, Pages 660-665

  Musa, Ahmed Y ^a   Kadhum, Abdul Amir H ^a   Mohamad, Abu Bakar ^a   Takriff, Mohd Sobri ^a  

^a UNIVERSITI KEBANGSAAN MALAYSIA   (Malaysia)

Author keywords

Ab initio calculations; Corrosion test; Electrochemical techniques; Molecular dynamics

Indexed keywords

AB INITIO CALCULATIONS; CORROSION TEST; ELECTROCHEMICAL TECHNIQUES; HETEROATOMS; INHIBITION EFFICIENCY; MILD-STEEL SURFACES; QUANTUM CHEMICAL CALCULATIONS; QUANTUM CHEMICAL PARAMETERS; THEORETICAL RESULT;

ADSORPTION; CALCULATIONS; CARBON STEEL; ELECTROCHEMICAL CORROSION; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; STEEL CORROSION;

CORROSION INHIBITORS;

EID: 79958792590     PISSN: 02540584     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.matchemphys.2011.05.010     Document Type: Article

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