Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl)oxazolo[5,4-f][1,10]phenanthroline on mild steel

Research on Chemical Intermediates

Volumn 39, Issue 5, 2013, Pages 1927-1948

  Obot, I B ^a   Obi Egbedi, N O ^b   Ebenso, E E ^c   Afolabi, A S ^d   Oguzie, E E ^e  

^a UNIVERSITY OF UYO   (Nigeria)

^b UNIVERSITY OF IBADAN   (Nigeria)

^c NORTH WEST UNIVERSITY   (South Africa)

^d UNIVERSITY OF SOUTH AFRICA   (South Africa)

^e Federal University of Technology   (Nigeria)

Author keywords

Corrosion inhibitor; Mild steel; Molecular dynamic simulation; Quantum chemical calculation

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DONOR-ACCEPTOR INTERACTION; FOURIER TRANSFORM INFRA REDS; GRAVIMETRIC TECHNIQUE; INHIBITION EFFICIENCY; INHIBITION MECHANISMS; NUCLEAR MAGNETIC RESONANCE(NMR); QUANTUM CHEMICAL CALCULATIONS;

ADSORPTION; ATOMS; CHEMICAL ANALYSIS; COMPLEXATION; COMPUTER SIMULATION; CORROSION; CORROSION INHIBITORS; DENSITY FUNCTIONAL THEORY; MOLECULAR DYNAMICS; NITROGEN; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OXYGEN; QUANTUM CHEMISTRY;

CARBON STEEL;

EID: 84876488473     PISSN: 09226168     EISSN: 15685675     Source Type: Journal    
DOI: 10.1007/s11164-012-0726-3     Document Type: Article

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