Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

International Journal of Quantum Chemistry

Volumn 110, Issue 14, 2010, Pages 2614-2636

  Ebenso, Eno E ^a   Arslan, Taner ^b   Kandemirli, Fatma ^c   Love, Ian ^d   Öǧretir, Cemil ^b   Saracoǧlu, Murat ^e   Umoren, Saviour A ^f  

^a NORTH WEST UNIVERSITY   (South Africa)

^b ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

^c KOCAELI UNIVERSITY   (Turkey)

^d NATIONAL UNIVERSITY OF LESOTHO   (South Africa)

^e ERCIYES UNIVERSITY   (Turkey)

^f UNIVERSITY OF UYO   (Nigeria)

Author keywords

Ab initio calculation; Corrosion inhibitor; Density functional theory; Sulfonamides

Indexed keywords

AB INITIO CALCULATIONS; ACIDIC MEDIUMS; B3LYP/6-31G; BASIS SETS; COMPOSITE INDEX; CORROSION INHIBITION EFFICIENCY; DENSITY FUNCTIONALS; ELECTROPHILICITY; EXPERIMENTAL DATA; HIGHEST OCCUPIED MOLECULAR ORBITAL; INHIBITION EFFICIENCY; LANGMUIR ADSORPTION ISOTHERMS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MILD STEEL; PHYSICAL ADSORPTION; POLARIZABILITIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; QUANTUM CHEMICAL PARAMETERS; RHF/6-31G; SULFAPYRIDINE; SULFATHIAZOLE; SULFONAMIDES; THEORETICAL STUDY; THERMODYNAMIC PARAMETER; TOTAL ENERGY;

ADSORPTION; AMIDES; CALCULATIONS; CARBON STEEL; CHEMICAL BONDS; CORROSION PREVENTION; CORROSION RESISTANCE; DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ELECTRONEGATIVITY; IONIZATION POTENTIAL; MOLECULAR MODELING; MOLECULAR ORBITALS; SULFUR COMPOUNDS;

CORROSION INHIBITORS;

EID: 77958028692     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22430     Document Type: Article

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