The prime objective of the present research is to explore the green synthesis of nitrogen, oxygen, and sulfur-containing heteroatomic organic compound (TMP) using the ultrasound method and its application as a novel corrosion inhibitor for carbon steel in 1 M H2SO4 under hydrodynamic conditions at 1500 rpm. The performance ability of TMP rises from 42.80 % (without TMP) to 92.80 % (with TMP)/96.67 % (with TMP+KI). The TMP depicted the cathodic inhibitive nature. The charge transfer resistance (Rct) changes from 28.7 Ω cm−1 to 190.4 Ω cm−1 with the falling of double layer capacitance (Cdl) from 46 μF cm−2 to 28 μF cm−2 on the introduction of TMP supports the adsorption of TMP molecules at the active sites of the carbon steel surface. The molecular adsorption of TMP is governed by El-Awady isotherm. The results of the surface analysis support the creation of an inhibitive layer of TMP over the carbon steel surface. Density Functional Theory (DFT) and Monte Carlo simulations (MCS) calculations were further performed to justify the experimental results. Molecular docking was used to analyze the TMP and sulfate-reducing bacteria (SRB) protein interaction.
|Journal||Colloids and Surfaces A: Physicochemical and Engineering Aspects|
|State||Published - 20 Sep 2023|
Bibliographical noteFunding Information:
The authors extend their appreciation to the Deanship of Scientific Research at King Khalid University for funding this work through a research group program under grant number R.G.P. 2/271/44 .
© 2023 Elsevier B.V.
- Carbon steel
- Molecular docking
ASJC Scopus subject areas
- Surfaces and Interfaces
- Physical and Theoretical Chemistry
- Colloid and Surface Chemistry