Ethyl ester/acyl hydrazide-based aromatic sulfonamides: facile synthesis, structural characterization, electrochemical measurements and theoretical studies as effective corrosion inhibitors for mild steel in 1.0 M HCl

Abstract

Two new corrosion inhibitors were synthesized and applied to steel in 1.0 M HCl. The corrosion resistance was probed by electrochemical and theoretical methods. The study reveals significant intersections between electrochemical aspects and theory.

Synthesis and applications of novel Schiff base derivatives as corrosion inhibitors and additives for improvement of reinforced concrete

“…In order to comprehend the inhibitory phenomena on the steel surface and identify the low E ads locations on the surface, MC and MD simulations were carried out. This allowed identification of the preferred adsorption sites and geometry of DHSiMF and DHSiB compounds either in the neutral or protonated form 72 – 74 . By optimizing the entire system, different forms of energies for DHSiMF and DHSiB inhibitors on the Fe (1 1 0) surface in the simulated corrosive fluid were determined.…”

Insight into the corrosion mitigation performance of three novel benzimidazole derivatives of amino acids for carbon steel (X56) in 1 M HCl solution

“… 59 Without prior knowledge of Tafel constants, the EFM approach instantly yields corrosion current values. 60 The intensity of the two higher peaks in the intermodulation spectra show the link between current density (i) and frequency in respect to the selected two applied excitation frequencies of 2 and 5 Hz. 61 The EFM-intermodulation spectra of (X56 c-steel/1.00 M HCl/B3) at 30 °C are gathered in Fig.…”

Tailoring of novel morpholine-sulphonamide linked thiazole moieties as dual targeting DHFR/DNA gyrase inhibitors: synthesis, antimicrobial and antibiofilm activities, and DFT with molecular modelling studies

“…Following that, the calculated energies for HOMO and LUMO were utilized to create an assortment of molecular descriptors (Table 1) that can be useful in analyzing the overall stability and reactivity of the molecule. [43][44][45] Fig. 5 depicts the distribution of electron density in HOMOs and LUMOs for the examined compounds, as well as the energy gaps anticipated from the DFT-B3LYP/6-31G(d) calculations.…”

“…A compound with high DE is less polarized, has high kinetic stability, and, of course, has low chemical reactivity. [43][44][45] Furthermore, DE affects the intramolecular charge transfer within the molecule and subsequently affects its biological activity. 43 The DE values (Table 1) of our synthesized compounds (3-7) range from 4.16 to 2.79 eV with a decreasing order: 3 = 5 (4.16) 4 7 4 4b 4 4a 4 6 (2.79).…”