THEORETICAL MODELING OF IMINOISATIN DERIVATIVES AS CORROSION INHIBITORS OF STEEL IN ACID SOLUTION

Authors

  • Babatunde Temitope Ogunyemi Federl university Otuoke
  • Sunday Gbenga Borisade

DOI:

https://doi.org/10.33003/fjs-2020-0403-372

Keywords:

DFT, Iminosatin, Inhibition efficiency, Quantum descriptors

Abstract

The effect of two iminoisatin derivatives [1-morpholinomethyl-3(1-N-dithiooxamide) iminoisatin (molecule 1)] and 1-diphenylaminomethyl-3(1-N-dithiooxamide) iminoisatin (molecule 2) on corrosion inhibition were theoretically investigated using quantum mechanical method. Their electronic parameters and quantum chemical descriptors that predict their adsorption and hence their inhibition efficiency were estimated using the DFT//B3LYP/6-31G (d) method. The results established a relationship between the quantum descriptors and corrosion inhibition efficiency, and also confirmed molecule 2 to be a better corrosion inhibitor and provide a guide to the synthesis of more efficient organic corrosion inhibitors.

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Published

2020-09-30

How to Cite

Ogunyemi, B. T., & Borisade, S. G. (2020). THEORETICAL MODELING OF IMINOISATIN DERIVATIVES AS CORROSION INHIBITORS OF STEEL IN ACID SOLUTION. FUDMA JOURNAL OF SCIENCES, 4(3), 672 - 678. https://doi.org/10.33003/fjs-2020-0403-372