AB INITIO CALCULATION ON CORROSION INHIBITING PROPERTIES OF AMINO BENZOIC ACID AND PICOLINIC ACID AND THEIR DERIVATIES ON Fe IN HCl SOLUTION

@inproceedings{Li2003ABIC,
  title={AB INITIO CALCULATION ON CORROSION INHIBITING PROPERTIES OF AMINO BENZOIC ACID AND PICOLINIC ACID AND THEIR DERIVATIES ON Fe IN HCl SOLUTION},
  author={Ouyang Junjun,ZHOU Li},
  year={2003}
}
The corrosion inhibiting efficiencies of o ,m ,para aminobenzoic acids and α ,β ,γ picolinic acids on Fe electrode in HCl solution were determined with electrochemical method.The geometries of the compounds were optimized by using ab initio(RHF/6 31G) calculation,respectively.The orbital energies and the charge densities of the molecules were obtaind.It is found that the inhibition efficiencies of o ,m ,p aminobenzoic acid on the Fe surface are related to the charge densities of N atom and O(C… CONTINUE READING