Theoretical study using DFT calculations on inhibitory action of four pyridazines on corrosion of copper in nitric acid

Research on Chemical Intermediates

Volumn 38, Issue 9, 2012, Pages 2327-2334

  Zarrouk, A ^a   Hammouti, B ^a   Zarrok, H ^b   Salghi, R ^c   Bouachrine, M ^d   Bentiss, F ^e   S S Al Deyab, ^f  

^a FACULTÉ DES SCIENCES   (Morocco)

^b IBN TOFAIL UNIVERSITY   (Morocco)

^c IBN ZOHR UNIVERSITY   (Morocco)

^d Faculté Polydisciplinaire de Taza   (Morocco)

^e FACULTÉ DES SCIENCES   (Morocco)

^f KING SAUD UNIVERSITY   (Saudi Arabia)

Author keywords

Copper; DFT calculations; Inhibitors; Nitric acid; Pyridazines

Indexed keywords

ADSORPTION PARAMETERS; B3LYP/6-31G; DENSITY-FUNCTIONAL APPROACH; DFT CALCULATION; HIGHEST OCCUPIED MOLECULAR ORBITAL; INHIBITION EFFICIENCY; INHIBITIVE EFFECTS; LOWEST UNOCCUPIED MOLECULAR ORBITAL; NITRIC ACID SOLUTIONS; PHYSICAL ADSORPTION; POLARIZATION MEASUREMENTS; PYRIDAZINE; PYRIDAZINES; QUANTUM CHEMICAL PARAMETERS; SEPARATION ENERGY; THEORETICAL STUDY; TOTAL ENERGY; WEIGHT LOSS;

ADSORPTION; CHEMICAL BONDS; COPPER; COPPER CORROSION; CORROSION INHIBITORS; DENSITY FUNCTIONAL THEORY; ELECTRONEGATIVITY; IONIZATION POTENTIAL; PYRIDINE; QUANTUM CHEMISTRY;

NITRIC ACID;

EID: 84871040475     PISSN: 09226168     EISSN: 15685675     Source Type: Journal    
DOI: 10.1007/s11164-012-0548-3     Document Type: Article

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